N-[[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine

C26H21ClN6 — CID 72699719

IUPACN-[[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine
SMILESCc1cc(-c2cc3ccnc(NCc4cnc(-c5ccnc(C)c5)c(Cl)c4)c3cn2)ccn1
InChIInChI=1S/C26H21ClN6/c1-16-9-20(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/h3-13,15H,14H2,1-2H3,(H,30,33)
InChIKeyLCACOGUKLNZZAJ-UHFFFAOYSA-N
MW452.95 g/mol
LogP6.03
Rot. Bonds5

About N-[[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine

N-[[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine (PubChem CID 72699719) has the molecular formula C26H21ClN6 and a molecular weight of 452.95 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.

Molecular Properties

Compound NameN-[[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine
PubChem CID72699719
Molecular FormulaC26H21ClN6
Molecular Weight452.95 g/mol
Exact Mass452.15
IUPAC NameN-[[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine
SMILESCc1cc(-c2cc3ccnc(NCc4cnc(-c5ccnc(C)c5)c(Cl)c4)c3cn2)ccn1
InChIInChI=1S/C26H21ClN6/c1-16-9-20(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/h3-13,15H,14H2,1-2H3,(H,30,33)
InChIKeyLCACOGUKLNZZAJ-UHFFFAOYSA-N
XLogP6.03
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.95
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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?
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 (CID 72699719) is N-[[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine.
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?
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 is 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?
The InChIKey is LCACOGUKLNZZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN6/c1-16-9-20(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/h3-13,15H,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-[[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine has a molecular weight of 452.95 g/mol, XLogP of 6.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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 is sourced from PubChem (CID 72699719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).