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

C23H21ClN6O — CID 44818494

IUPAC6-chloro-N-[4-[[[6-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide
SMILESCNc1nc(NCc2ccc(NC(=O)c3ccc(Cl)nc3)cc2)c2cc(C)ccc2n1
InChIInChI=1S/C23H21ClN6O/c1-14-3-9-19-18(11-14)21(30-23(25-2)29-19)27-12-15-4-7-17(8-5-15)28-22(31)16-6-10-20(24)26-13-16/h3-11,13H,12H2,1-2H3,(H,28,31)(H2,25,27,29,30)
InChIKeyYQPIBQOIIIQHCV-UHFFFAOYSA-N
MW432.92 g/mol
LogP4.89
Rot. Bonds6

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

6-chloro-N-[4-[[[6-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide (PubChem CID 44818494) has the molecular formula C23H21ClN6O and a molecular weight of 432.92 g/mol. Its IUPAC name is 6-chloro-N-[4-[[[6-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[4-[[[6-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide
PubChem CID44818494
Molecular FormulaC23H21ClN6O
Molecular Weight432.92 g/mol
Exact Mass432.15
IUPAC Name6-chloro-N-[4-[[[6-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide
SMILESCNc1nc(NCc2ccc(NC(=O)c3ccc(Cl)nc3)cc2)c2cc(C)ccc2n1
InChIInChI=1S/C23H21ClN6O/c1-14-3-9-19-18(11-14)21(30-23(25-2)29-19)27-12-15-4-7-17(8-5-15)28-22(31)16-6-10-20(24)26-13-16/h3-11,13H,12H2,1-2H3,(H,28,31)(H2,25,27,29,30)
InChIKeyYQPIBQOIIIQHCV-UHFFFAOYSA-N
XLogP4.89
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.92
LogP ≤ 54.89
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-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[4-[[[6-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]benzamide
CID 25025710
6-chloro-N-[4-[[[6,8-dimethyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 87629883
4-N-benzyl-2-N,6-dimethylquinazoline-2,4-diamine
CID 138683087
N-[4-[[[2-(diethylamino)-6-methylquinazolin-4-yl]amino]methyl]phenyl]-4-fluorobenzamide
CID 25024736
2-chloro-N-[4-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 25025706
N-(4-bromophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155992
3-[4-[(6-chloropyridine-3-carbonyl)amino]phenyl]propanoic acid
CID 81368393
4-fluoro-N-[4-[[[6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-yl]amino]methyl]phenyl]benzamide
CID 25024532
6-chloro-N-[4-[2-[(2-chloro-8-methylquinazolin-4-yl)amino]ethyl]phenyl]pyridine-3-carboxamide
CID 87720545
6-[(4-methylphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109156003
6-chloro-N-(2-chloro-5-methylphenyl)pyridine-3-carboxamide
CID 103769566
6-chloro-N-(4-chloro-3-methylphenyl)pyridine-3-carboxamide
CID 91312921

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-[[[6-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[4-[[[6-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide (CID 44818494) is 6-chloro-N-[4-[[[6-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[4-[[[6-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[4-[[[6-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide is CNc1nc(NCc2ccc(NC(=O)c3ccc(Cl)nc3)cc2)c2cc(C)ccc2n1.
What is the InChIKey of 6-chloro-N-[4-[[[6-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is YQPIBQOIIIQHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN6O/c1-14-3-9-19-18(11-14)21(30-23(25-2)29-19)27-12-15-4-7-17(8-5-15)28-22(31)16-6-10-20(24)26-13-16/h3-11,13H,12H2,1-2H3,(H,28,31)(H2,25,27,29,30).
What are the key properties of 6-chloro-N-[4-[[[6-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide?
6-chloro-N-[4-[[[6-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 432.92 g/mol, XLogP of 4.89, 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-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 44818494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).