N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-methylbenzamide;3-ethynyl-N-[5-[methyl(pyridin-3-yl)amino]-3-pyridinyl]benzamide;3-methyl-N-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]benzamide;3-methyl-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide

C75H65ClN16O5 — CID 123385689

IUPACN-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-methylbenzamide;3-ethynyl-N-[5-[methyl(pyridin-3-yl)amino]-3-pyridinyl]benzamide;3-methyl-N-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]benzamide;3-methyl-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide
SMILESC#Cc1cccc(C(=O)Nc2cncc(N(C)c3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(N(C)c3cccnc3)ccn2)c1.Cc1cccc(C(=O)Nc2cc(N(C)c3cncnc3)cc(Cl)n2)c1.Cc1cccc(C(=O)Nc2ccnc(Oc3cccnc3)c2)c1
InChIInChI=1S/C20H16N4O.C19H18N4O.C18H16ClN5O.C18H15N3O2/c1-3-15-6-4-7-16(10-15)20(25)23-17-11-19(14-22-12-17)24(2)18-8-5-9-21-13-18;1-14-5-3-6-15(11-14)19(24)22-18-12-16(8-10-21-18)23(2)17-7-4-9-20-13-17;1-12-4-3-5-13(6-12)18(25)23-17-8-14(7-16(19)22-17)24(2)15-9-20-11-21-10-15;1-13-4-2-5-14(10-13)18(22)21-15-7-9-20-17(11-15)23-16-6-3-8-19-12-16/h1,4-14H,2H3,(H,23,25);3-13H,1-2H3,(H,21,22,24);3-11H,1-2H3,(H,22,23,25);2-12H,1H3,(H,20,21,22)
InChIKeyLFVPNHUJVCEBLG-UHFFFAOYSA-N
MW1305.90 g/mol
LogP14.97
Rot. Bonds16

About N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-methylbenzamide;3-ethynyl-N-[5-[methyl(pyridin-3-yl)amino]-3-pyridinyl]benzamide;3-methyl-N-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]benzamide;3-methyl-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide

N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-methylbenzamide;3-ethynyl-N-[5-[methyl(pyridin-3-yl)amino]-3-pyridinyl]benzamide;3-methyl-N-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]benzamide;3-methyl-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide (PubChem CID 123385689) has the molecular formula C75H65ClN16O5 and a molecular weight of 1305.90 g/mol. Its IUPAC name is N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-methylbenzamide;3-ethynyl-N-[5-[methyl(pyridin-3-yl)amino]-3-pyridinyl]benzamide;3-methyl-N-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]benzamide;3-methyl-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide.

Molecular Properties

Compound NameN-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-methylbenzamide;3-ethynyl-N-[5-[methyl(pyridin-3-yl)amino]-3-pyridinyl]benzamide;3-methyl-N-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]benzamide;3-methyl-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide
PubChem CID123385689
Molecular FormulaC75H65ClN16O5
Molecular Weight1305.90 g/mol
Exact Mass1304.50
IUPAC NameN-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-methylbenzamide;3-ethynyl-N-[5-[methyl(pyridin-3-yl)amino]-3-pyridinyl]benzamide;3-methyl-N-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]benzamide;3-methyl-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide
SMILESC#Cc1cccc(C(=O)Nc2cncc(N(C)c3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(N(C)c3cccnc3)ccn2)c1.Cc1cccc(C(=O)Nc2cc(N(C)c3cncnc3)cc(Cl)n2)c1.Cc1cccc(C(=O)Nc2ccnc(Oc3cccnc3)c2)c1
InChIInChI=1S/C20H16N4O.C19H18N4O.C18H16ClN5O.C18H15N3O2/c1-3-15-6-4-7-16(10-15)20(25)23-17-11-19(14-22-12-17)24(2)18-8-5-9-21-13-18;1-14-5-3-6-15(11-14)19(24)22-18-12-16(8-10-21-18)23(2)17-7-4-9-20-13-17;1-12-4-3-5-13(6-12)18(25)23-17-8-14(7-16(19)22-17)24(2)15-9-20-11-21-10-15;1-13-4-2-5-14(10-13)18(22)21-15-7-9-20-17(11-15)23-16-6-3-8-19-12-16/h1,4-14H,2H3,(H,23,25);3-13H,1-2H3,(H,21,22,24);3-11H,1-2H3,(H,22,23,25);2-12H,1H3,(H,20,21,22)
InChIKeyLFVPNHUJVCEBLG-UHFFFAOYSA-N
XLogP14.97
TPSA251.36 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds16
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001305.90
LogP ≤ 514.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-methylbenzamide;3-ethynyl-N-[5-[methyl(pyridin-3-yl)amino]-3-pyridinyl]benzamide;3-methyl-N-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]benzamide;3-methyl-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-methylbenzamide;3-ethynyl-N-[5-[methyl(pyridin-3-yl)amino]-3-pyridinyl]benzamide;3-methyl-N-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]benzamide;3-methyl-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide?
The IUPAC name of N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-methylbenzamide;3-ethynyl-N-[5-[methyl(pyridin-3-yl)amino]-3-pyridinyl]benzamide;3-methyl-N-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]benzamide;3-methyl-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide (CID 123385689) is N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-methylbenzamide;3-ethynyl-N-[5-[methyl(pyridin-3-yl)amino]-3-pyridinyl]benzamide;3-methyl-N-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]benzamide;3-methyl-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide.
What is the SMILES notation for N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-methylbenzamide;3-ethynyl-N-[5-[methyl(pyridin-3-yl)amino]-3-pyridinyl]benzamide;3-methyl-N-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]benzamide;3-methyl-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide?
The canonical SMILES for N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-methylbenzamide;3-ethynyl-N-[5-[methyl(pyridin-3-yl)amino]-3-pyridinyl]benzamide;3-methyl-N-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]benzamide;3-methyl-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide is C#Cc1cccc(C(=O)Nc2cncc(N(C)c3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(N(C)c3cccnc3)ccn2)c1.Cc1cccc(C(=O)Nc2cc(N(C)c3cncnc3)cc(Cl)n2)c1.Cc1cccc(C(=O)Nc2ccnc(Oc3cccnc3)c2)c1.
What is the InChIKey of N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-methylbenzamide;3-ethynyl-N-[5-[methyl(pyridin-3-yl)amino]-3-pyridinyl]benzamide;3-methyl-N-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]benzamide;3-methyl-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide?
The InChIKey is LFVPNHUJVCEBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O.C19H18N4O.C18H16ClN5O.C18H15N3O2/c1-3-15-6-4-7-16(10-15)20(25)23-17-11-19(14-22-12-17)24(2)18-8-5-9-21-13-18;1-14-5-3-6-15(11-14)19(24)22-18-12-16(8-10-21-18)23(2)17-7-4-9-20-13-17;1-12-4-3-5-13(6-12)18(25)23-17-8-14(7-16(19)22-17)24(2)15-9-20-11-21-10-15;1-13-4-2-5-14(10-13)18(22)21-15-7-9-20-17(11-15)23-16-6-3-8-19-12-16/h1,4-14H,2H3,(H,23,25);3-13H,1-2H3,(H,21,22,24);3-11H,1-2H3,(H,22,23,25);2-12H,1H3,(H,20,21,22).
What are the key properties of N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-methylbenzamide;3-ethynyl-N-[5-[methyl(pyridin-3-yl)amino]-3-pyridinyl]benzamide;3-methyl-N-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]benzamide;3-methyl-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide?
N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-methylbenzamide;3-ethynyl-N-[5-[methyl(pyridin-3-yl)amino]-3-pyridinyl]benzamide;3-methyl-N-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]benzamide;3-methyl-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide has a molecular weight of 1305.90 g/mol, XLogP of 14.97, 16 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-methylbenzamide;3-ethynyl-N-[5-[methyl(pyridin-3-yl)amino]-3-pyridinyl]benzamide;3-methyl-N-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]benzamide;3-methyl-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide is sourced from PubChem (CID 123385689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).