N-[[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine;N-[[4-[2-(difluoromethyl)-4-pyridinyl]phenyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine;2-(2-methyl-4-pyridinyl)-5-[[[6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-yl]amino]methyl]pyridine-3-carbonitrile

C80H63ClF2N18 — CID 158634556

IUPACN-[[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine;N-[[4-[2-(difluoromethyl)-4-pyridinyl]phenyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine;2-(2-methyl-4-pyridinyl)-5-[[[6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-yl]amino]methyl]pyridine-3-carbonitrile
SMILESCc1cc(-c2cc3ccnc(NCc4ccc(-c5ccnc(C(F)F)c5)cc4)c3cn2)ccn1.Cc1cc(-c2cc3ccnc(NCc4cnc(-c5ccnc(C)c5)c(C#N)c4)c3cn2)ccn1.Cc1cc(-c2cc3ccnc(NCc4cnc(-c5ccnc(C)c5)c(Cl)c4)c3cn2)ccn1
InChIInChI=1S/C27H21F2N5.C27H21N7.C26H21ClN6/c1-17-12-22(8-9-30-17)24-14-21-7-11-32-27(23(21)16-33-24)34-15-18-2-4-19(5-3-18)20-6-10-31-25(13-20)26(28)29;1-17-9-21(4-6-29-17)25-12-20-3-8-31-27(24(20)16-32-25)34-15-19-11-23(13-28)26(33-14-19)22-5-7-30-18(2)10-22;1-16-9-20(4-6-28-16)24-12-19-3-8-30-26(22(19)15-31-24)33-14-18-11-23(27)25(32-13-18)21-5-7-29-17(2)10-21/h2-14,16,26H,15H2,1H3,(H,32,34);3-12,14,16H,15H2,1-2H3,(H,31,34);3-13,15H,14H2,1-2H3,(H,30,33)
InChIKeyHZPNPTULGLYHJY-UHFFFAOYSA-N
MW1349.96 g/mol
LogP17.89
Rot. Bonds16

About N-[[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine;N-[[4-[2-(difluoromethyl)-4-pyridinyl]phenyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine;2-(2-methyl-4-pyridinyl)-5-[[[6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-yl]amino]methyl]pyridine-3-carbonitrile

N-[[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine;N-[[4-[2-(difluoromethyl)-4-pyridinyl]phenyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine;2-(2-methyl-4-pyridinyl)-5-[[[6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-yl]amino]methyl]pyridine-3-carbonitrile (PubChem CID 158634556) has the molecular formula C80H63ClF2N18 and a molecular weight of 1349.96 g/mol. Its IUPAC name is N-[[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine;N-[[4-[2-(difluoromethyl)-4-pyridinyl]phenyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine;2-(2-methyl-4-pyridinyl)-5-[[[6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-yl]amino]methyl]pyridine-3-carbonitrile.

Molecular Properties

Compound NameN-[[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine;N-[[4-[2-(difluoromethyl)-4-pyridinyl]phenyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine;2-(2-methyl-4-pyridinyl)-5-[[[6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-yl]amino]methyl]pyridine-3-carbonitrile
PubChem CID158634556
Molecular FormulaC80H63ClF2N18
Molecular Weight1349.96 g/mol
Exact Mass1348.51
IUPAC NameN-[[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine;N-[[4-[2-(difluoromethyl)-4-pyridinyl]phenyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine;2-(2-methyl-4-pyridinyl)-5-[[[6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-yl]amino]methyl]pyridine-3-carbonitrile
SMILESCc1cc(-c2cc3ccnc(NCc4ccc(-c5ccnc(C(F)F)c5)cc4)c3cn2)ccn1.Cc1cc(-c2cc3ccnc(NCc4cnc(-c5ccnc(C)c5)c(C#N)c4)c3cn2)ccn1.Cc1cc(-c2cc3ccnc(NCc4cnc(-c5ccnc(C)c5)c(Cl)c4)c3cn2)ccn1
InChIInChI=1S/C27H21F2N5.C27H21N7.C26H21ClN6/c1-17-12-22(8-9-30-17)24-14-21-7-11-32-27(23(21)16-33-24)34-15-18-2-4-19(5-3-18)20-6-10-31-25(13-20)26(28)29;1-17-9-21(4-6-29-17)25-12-20-3-8-31-27(24(20)16-32-25)34-15-19-11-23(13-28)26(33-14-19)22-5-7-30-18(2)10-22;1-16-9-20(4-6-28-16)24-12-19-3-8-30-26(22(19)15-31-24)33-14-18-11-23(27)25(32-13-18)21-5-7-29-17(2)10-21/h2-14,16,26H,15H2,1H3,(H,32,34);3-12,14,16H,15H2,1-2H3,(H,31,34);3-13,15H,14H2,1-2H3,(H,30,33)
InChIKeyHZPNPTULGLYHJY-UHFFFAOYSA-N
XLogP17.89
TPSA240.34 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001349.96
LogP ≤ 517.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze N-[[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine;N-[[4-[2-(difluoromethyl)-4-pyridinyl]phenyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine;2-(2-methyl-4-pyridinyl)-5-[[[6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-yl]amino]methyl]pyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine;N-[[4-[2-(difluoromethyl)-4-pyridinyl]phenyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine;2-(2-methyl-4-pyridinyl)-5-[[[6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-yl]amino]methyl]pyridine-3-carbonitrile?
The IUPAC name of N-[[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine;N-[[4-[2-(difluoromethyl)-4-pyridinyl]phenyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine;2-(2-methyl-4-pyridinyl)-5-[[[6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-yl]amino]methyl]pyridine-3-carbonitrile (CID 158634556) is N-[[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine;N-[[4-[2-(difluoromethyl)-4-pyridinyl]phenyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine;2-(2-methyl-4-pyridinyl)-5-[[[6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-yl]amino]methyl]pyridine-3-carbonitrile.
What is the SMILES notation for N-[[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine;N-[[4-[2-(difluoromethyl)-4-pyridinyl]phenyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine;2-(2-methyl-4-pyridinyl)-5-[[[6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-yl]amino]methyl]pyridine-3-carbonitrile?
The canonical SMILES for N-[[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine;N-[[4-[2-(difluoromethyl)-4-pyridinyl]phenyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine;2-(2-methyl-4-pyridinyl)-5-[[[6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-yl]amino]methyl]pyridine-3-carbonitrile is Cc1cc(-c2cc3ccnc(NCc4ccc(-c5ccnc(C(F)F)c5)cc4)c3cn2)ccn1.Cc1cc(-c2cc3ccnc(NCc4cnc(-c5ccnc(C)c5)c(C#N)c4)c3cn2)ccn1.Cc1cc(-c2cc3ccnc(NCc4cnc(-c5ccnc(C)c5)c(Cl)c4)c3cn2)ccn1.
What is the InChIKey of N-[[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine;N-[[4-[2-(difluoromethyl)-4-pyridinyl]phenyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine;2-(2-methyl-4-pyridinyl)-5-[[[6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-yl]amino]methyl]pyridine-3-carbonitrile?
The InChIKey is HZPNPTULGLYHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F2N5.C27H21N7.C26H21ClN6/c1-17-12-22(8-9-30-17)24-14-21-7-11-32-27(23(21)16-33-24)34-15-18-2-4-19(5-3-18)20-6-10-31-25(13-20)26(28)29;1-17-9-21(4-6-29-17)25-12-20-3-8-31-27(24(20)16-32-25)34-15-19-11-23(13-28)26(33-14-19)22-5-7-30-18(2)10-22;1-16-9-20(4-6-28-16)24-12-19-3-8-30-26(22(19)15-31-24)33-14-18-11-23(27)25(32-13-18)21-5-7-29-17(2)10-21/h2-14,16,26H,15H2,1H3,(H,32,34);3-12,14,16H,15H2,1-2H3,(H,31,34);3-13,15H,14H2,1-2H3,(H,30,33).
What are the key properties of N-[[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine;N-[[4-[2-(difluoromethyl)-4-pyridinyl]phenyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine;2-(2-methyl-4-pyridinyl)-5-[[[6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-yl]amino]methyl]pyridine-3-carbonitrile?
N-[[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine;N-[[4-[2-(difluoromethyl)-4-pyridinyl]phenyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine;2-(2-methyl-4-pyridinyl)-5-[[[6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-yl]amino]methyl]pyridine-3-carbonitrile has a molecular weight of 1349.96 g/mol, XLogP of 17.89, 16 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine;N-[[4-[2-(difluoromethyl)-4-pyridinyl]phenyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine;2-(2-methyl-4-pyridinyl)-5-[[[6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-yl]amino]methyl]pyridine-3-carbonitrile is sourced from PubChem (CID 158634556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).