6-chloro-N-[4-[[[6,8-dimethyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide

C24H23ClN6O — CID 87629883

IUPAC6-chloro-N-[4-[[[6,8-dimethyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide
SMILESCNc1nc(NCc2ccc(NC(=O)c3ccc(Cl)nc3)cc2)c2cc(C)cc(C)c2n1
InChIInChI=1S/C24H23ClN6O/c1-14-10-15(2)21-19(11-14)22(31-24(26-3)30-21)28-12-16-4-7-18(8-5-16)29-23(32)17-6-9-20(25)27-13-17/h4-11,13H,12H2,1-3H3,(H,29,32)(H2,26,28,30,31)
InChIKeyWXERZXUWPZGDIH-UHFFFAOYSA-N
MW446.94 g/mol
LogP5.20
Rot. Bonds6

About 6-chloro-N-[4-[[[6,8-dimethyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide

6-chloro-N-[4-[[[6,8-dimethyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide (PubChem CID 87629883) has the molecular formula C24H23ClN6O and a molecular weight of 446.94 g/mol. Its IUPAC name is 6-chloro-N-[4-[[[6,8-dimethyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[4-[[[6,8-dimethyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide
PubChem CID87629883
Molecular FormulaC24H23ClN6O
Molecular Weight446.94 g/mol
Exact Mass446.16
IUPAC Name6-chloro-N-[4-[[[6,8-dimethyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide
SMILESCNc1nc(NCc2ccc(NC(=O)c3ccc(Cl)nc3)cc2)c2cc(C)cc(C)c2n1
InChIInChI=1S/C24H23ClN6O/c1-14-10-15(2)21-19(11-14)22(31-24(26-3)30-21)28-12-16-4-7-18(8-5-16)29-23(32)17-6-9-20(25)27-13-17/h4-11,13H,12H2,1-3H3,(H,29,32)(H2,26,28,30,31)
InChIKeyWXERZXUWPZGDIH-UHFFFAOYSA-N
XLogP5.20
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.94
LogP ≤ 55.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-chloro-N-[4-[[[6,8-dimethyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide with MolForge

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Related Compounds

6-chloro-N-[4-[[[6-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 44818494
4-chloro-N-[4-[[[6-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]benzamide
CID 25025710
6-chloro-N-[4-[2-[(2-chloro-8-methylquinazolin-4-yl)amino]ethyl]phenyl]pyridine-3-carboxamide
CID 87720545
6-chloro-N-(4-chloro-3-methylphenyl)pyridine-3-carboxamide
CID 91312921
2-[(4-chlorophenyl)methylamino]-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
CID 109257723
2-chloro-N-[4-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 25025706
2-[(4-chlorophenyl)methylamino]-N-(3,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109257713
3-[4-[(6-chloropyridine-3-carbonyl)amino]phenyl]propanoic acid
CID 81368393
N-(4-acetamidophenyl)-6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 109156954
N-(4-fluorophenyl)-4-[[(5-methylpyrimidin-2-yl)amino]methyl]benzamide
CID 133404406
N-(4-bromophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155992
6-[(4-methylphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109156003

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-[[[6,8-dimethyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[4-[[[6,8-dimethyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide (CID 87629883) is 6-chloro-N-[4-[[[6,8-dimethyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[4-[[[6,8-dimethyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[4-[[[6,8-dimethyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide is CNc1nc(NCc2ccc(NC(=O)c3ccc(Cl)nc3)cc2)c2cc(C)cc(C)c2n1.
What is the InChIKey of 6-chloro-N-[4-[[[6,8-dimethyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is WXERZXUWPZGDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6O/c1-14-10-15(2)21-19(11-14)22(31-24(26-3)30-21)28-12-16-4-7-18(8-5-16)29-23(32)17-6-9-20(25)27-13-17/h4-11,13H,12H2,1-3H3,(H,29,32)(H2,26,28,30,31).
What are the key properties of 6-chloro-N-[4-[[[6,8-dimethyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide?
6-chloro-N-[4-[[[6,8-dimethyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 446.94 g/mol, XLogP of 5.20, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-[[[6,8-dimethyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 87629883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).