N-cyclopropyl-N-[[3-[4-[(3-methylphenyl)methylamino]quinazolin-6-yl]phenyl]methyl]pyridine-3-carboxamide

C32H29N5O — CID 68948207

IUPACN-cyclopropyl-N-[[3-[4-[(3-methylphenyl)methylamino]quinazolin-6-yl]phenyl]methyl]pyridine-3-carboxamide
SMILESCc1cccc(CNc2ncnc3ccc(-c4cccc(CN(C(=O)c5cccnc5)C5CC5)c4)cc23)c1
InChIInChI=1S/C32H29N5O/c1-22-5-2-6-23(15-22)18-34-31-29-17-26(10-13-30(29)35-21-36-31)25-8-3-7-24(16-25)20-37(28-11-12-28)32(38)27-9-4-14-33-19-27/h2-10,13-17,19,21,28H,11-12,18,20H2,1H3,(H,34,35,36)
InChIKeyYTWFWQMCYYLKIB-UHFFFAOYSA-N
MW499.62 g/mol
LogP6.42
Rot. Bonds8

About N-cyclopropyl-N-[[3-[4-[(3-methylphenyl)methylamino]quinazolin-6-yl]phenyl]methyl]pyridine-3-carboxamide

N-cyclopropyl-N-[[3-[4-[(3-methylphenyl)methylamino]quinazolin-6-yl]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 68948207) has the molecular formula C32H29N5O and a molecular weight of 499.62 g/mol. Its IUPAC name is N-cyclopropyl-N-[[3-[4-[(3-methylphenyl)methylamino]quinazolin-6-yl]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[3-[4-[(3-methylphenyl)methylamino]quinazolin-6-yl]phenyl]methyl]pyridine-3-carboxamide
PubChem CID68948207
Molecular FormulaC32H29N5O
Molecular Weight499.62 g/mol
Exact Mass499.24
IUPAC NameN-cyclopropyl-N-[[3-[4-[(3-methylphenyl)methylamino]quinazolin-6-yl]phenyl]methyl]pyridine-3-carboxamide
SMILESCc1cccc(CNc2ncnc3ccc(-c4cccc(CN(C(=O)c5cccnc5)C5CC5)c4)cc23)c1
InChIInChI=1S/C32H29N5O/c1-22-5-2-6-23(15-22)18-34-31-29-17-26(10-13-30(29)35-21-36-31)25-8-3-7-24(16-25)20-37(28-11-12-28)32(38)27-9-4-14-33-19-27/h2-10,13-17,19,21,28H,11-12,18,20H2,1H3,(H,34,35,36)
InChIKeyYTWFWQMCYYLKIB-UHFFFAOYSA-N
XLogP6.42
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.62
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-N-[[3-[4-[(3-methylphenyl)methylamino]quinazolin-6-yl]phenyl]methyl]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

N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]phenyl]methyl]pyridine-3-carboxamide
CID 68942481
N-cyclopropyl-N-[[3-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-6-yl]phenyl]methyl]benzamide
CID 57434863
N-cyclopropyl-N-[[3-[4-(2-phenylethylamino)quinazolin-6-yl]phenyl]methyl]pyridine-2-carboxamide
CID 68944022
6-chloro-N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]pyridine-3-carboxamide
CID 87630600
N-cyclopropyl-N-[[3-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-6-yl]phenyl]methyl]-3-(trifluoromethyl)benzamide
CID 57434876
N-cyclopropyl-N-[[3-[4-(2-phenylethylamino)quinazolin-6-yl]phenyl]methyl]thiophene-2-carboxamide
CID 68949355
N-cyclopropyl-3-phenyl-N-[[3-[4-(2-phenylethylamino)quinazolin-6-yl]phenyl]methyl]propanamide
CID 68947229
2-cyano-N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]acetamide
CID 57435011
N-cyclopropyl-N-[[3-[4-[(2,4-dimethoxyphenyl)methylamino]quinazolin-6-yl]phenyl]methyl]-2,4-difluorobenzamide
CID 57434867
N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-3,3,3-trifluoropropanamide
CID 57435010
3-[4-(pyridin-3-ylmethylamino)quinazolin-6-yl]benzonitrile
CID 3235560
N-cyclopropyl-4-[3-(dimethylamino)phenyl]-N-(pyridin-3-ylmethyl)benzamide
CID 119064910

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[3-[4-[(3-methylphenyl)methylamino]quinazolin-6-yl]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-[[3-[4-[(3-methylphenyl)methylamino]quinazolin-6-yl]phenyl]methyl]pyridine-3-carboxamide (CID 68948207) is N-cyclopropyl-N-[[3-[4-[(3-methylphenyl)methylamino]quinazolin-6-yl]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[[3-[4-[(3-methylphenyl)methylamino]quinazolin-6-yl]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[[3-[4-[(3-methylphenyl)methylamino]quinazolin-6-yl]phenyl]methyl]pyridine-3-carboxamide is Cc1cccc(CNc2ncnc3ccc(-c4cccc(CN(C(=O)c5cccnc5)C5CC5)c4)cc23)c1.
What is the InChIKey of N-cyclopropyl-N-[[3-[4-[(3-methylphenyl)methylamino]quinazolin-6-yl]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is YTWFWQMCYYLKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N5O/c1-22-5-2-6-23(15-22)18-34-31-29-17-26(10-13-30(29)35-21-36-31)25-8-3-7-24(16-25)20-37(28-11-12-28)32(38)27-9-4-14-33-19-27/h2-10,13-17,19,21,28H,11-12,18,20H2,1H3,(H,34,35,36).
What are the key properties of N-cyclopropyl-N-[[3-[4-[(3-methylphenyl)methylamino]quinazolin-6-yl]phenyl]methyl]pyridine-3-carboxamide?
N-cyclopropyl-N-[[3-[4-[(3-methylphenyl)methylamino]quinazolin-6-yl]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 499.62 g/mol, XLogP of 6.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[3-[4-[(3-methylphenyl)methylamino]quinazolin-6-yl]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 68948207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).