N-methyl-N-[4-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide

C27H22N6O — CID 133316306

IUPACN-methyl-N-[4-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide
SMILESCN(C(=O)c1ccncc1)c1ccc(CNc2nc(-c3ccncc3)nc3ccccc23)cc1
InChIInChI=1S/C27H22N6O/c1-33(27(34)21-12-16-29-17-13-21)22-8-6-19(7-9-22)18-30-26-23-4-2-3-5-24(23)31-25(32-26)20-10-14-28-15-11-20/h2-17H,18H2,1H3,(H,30,31,32)
InChIKeyMUCBDPCIYXIAAX-UHFFFAOYSA-N
MW446.51 g/mol
LogP4.98
Rot. Bonds6

About N-methyl-N-[4-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide

N-methyl-N-[4-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide (PubChem CID 133316306) has the molecular formula C27H22N6O and a molecular weight of 446.51 g/mol. Its IUPAC name is N-methyl-N-[4-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[4-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide
PubChem CID133316306
Molecular FormulaC27H22N6O
Molecular Weight446.51 g/mol
Exact Mass446.19
IUPAC NameN-methyl-N-[4-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide
SMILESCN(C(=O)c1ccncc1)c1ccc(CNc2nc(-c3ccncc3)nc3ccccc23)cc1
InChIInChI=1S/C27H22N6O/c1-33(27(34)21-12-16-29-17-13-21)22-8-6-19(7-9-22)18-30-26-23-4-2-3-5-24(23)31-25(32-26)20-10-14-28-15-11-20/h2-17H,18H2,1H3,(H,30,31,32)
InChIKeyMUCBDPCIYXIAAX-UHFFFAOYSA-N
XLogP4.98
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-[4-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide with MolForge

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Related Compounds

N-methyl-N-[4-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 133316378
N-methyl-N-[4-[[(3-methylquinoxalin-2-yl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 133305360
N-methyl-N-[4-[[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 133316321
2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)quinazolin-4-amine
CID 10154692
N-[(4-methylphenyl)methyl]-2-phenylquinazolin-4-amine
CID 11631224
N-[4-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]phenyl]acetamide
CID 24632870
N-[4-[[(6-chloropyrazin-2-yl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide
CID 133305379
N-[3-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]cyclopropanecarboxamide
CID 24685608
N-benzyl-2-(4-methoxyphenyl)quinazolin-4-amine
CID 949742
N-[4-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide;dihydrochloride
CID 119886989
N-[(4-pyridin-4-ylphenyl)methyl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 50898222
4-(benzylamino)-2-pyridin-4-ylquinazoline-6-sulfonamide
CID 19919038

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-methyl-N-[4-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide (CID 133316306) is N-methyl-N-[4-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-methyl-N-[4-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-methyl-N-[4-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide is CN(C(=O)c1ccncc1)c1ccc(CNc2nc(-c3ccncc3)nc3ccccc23)cc1.
What is the InChIKey of N-methyl-N-[4-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide?
The InChIKey is MUCBDPCIYXIAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N6O/c1-33(27(34)21-12-16-29-17-13-21)22-8-6-19(7-9-22)18-30-26-23-4-2-3-5-24(23)31-25(32-26)20-10-14-28-15-11-20/h2-17H,18H2,1H3,(H,30,31,32).
What are the key properties of N-methyl-N-[4-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide?
N-methyl-N-[4-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide has a molecular weight of 446.51 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 133316306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).