N-methyl-N-[4-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide

C27H22N6O — CID 133316378

IUPACN-methyl-N-[4-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide
SMILESCN(C(=O)c1ccncc1)c1ccc(CNc2nc(-c3cccnc3)nc3ccccc23)cc1
InChIInChI=1S/C27H22N6O/c1-33(27(34)20-12-15-28-16-13-20)22-10-8-19(9-11-22)17-30-26-23-6-2-3-7-24(23)31-25(32-26)21-5-4-14-29-18-21/h2-16,18H,17H2,1H3,(H,30,31,32)
InChIKeyDOUWAMAEFKSUHD-UHFFFAOYSA-N
MW446.51 g/mol
LogP4.98
Rot. Bonds6

About N-methyl-N-[4-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide

N-methyl-N-[4-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide (PubChem CID 133316378) has the molecular formula C27H22N6O and a molecular weight of 446.51 g/mol. Its IUPAC name is N-methyl-N-[4-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[4-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide
PubChem CID133316378
Molecular FormulaC27H22N6O
Molecular Weight446.51 g/mol
Exact Mass446.19
IUPAC NameN-methyl-N-[4-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide
SMILESCN(C(=O)c1ccncc1)c1ccc(CNc2nc(-c3cccnc3)nc3ccccc23)cc1
InChIInChI=1S/C27H22N6O/c1-33(27(34)20-12-15-28-16-13-20)22-10-8-19(9-11-22)17-30-26-23-6-2-3-7-24(23)31-25(32-26)21-5-4-14-29-18-21/h2-16,18H,17H2,1H3,(H,30,31,32)
InChIKeyDOUWAMAEFKSUHD-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-3-ylquinazolin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide with MolForge

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Related Compounds

N-methyl-N-[4-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 133316306
N-methyl-N-[4-[[(3-methylquinoxalin-2-yl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 133305360
4-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]benzenesulfonamide;dihydrochloride
CID 19392360
2-pyridin-3-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]quinazolin-4-amine
CID 9024551
2-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine
CID 9024030
N-[(2-methylphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 9251567
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
N-propan-2-yl-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]acetamide
CID 8567435
N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 9023704
N-prop-2-ynyl-2-pyridin-3-ylquinazolin-4-amine
CID 9251922
N-[(4-methylphenyl)methyl]-2-phenylquinazolin-4-amine
CID 11631224
N-[(5-methylpyrazin-2-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 3234103

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-methyl-N-[4-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide (CID 133316378) is N-methyl-N-[4-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-methyl-N-[4-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-methyl-N-[4-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide is CN(C(=O)c1ccncc1)c1ccc(CNc2nc(-c3cccnc3)nc3ccccc23)cc1.
What is the InChIKey of N-methyl-N-[4-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide?
The InChIKey is DOUWAMAEFKSUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N6O/c1-33(27(34)20-12-15-28-16-13-20)22-10-8-19(9-11-22)17-30-26-23-6-2-3-7-24(23)31-25(32-26)21-5-4-14-29-18-21/h2-16,18H,17H2,1H3,(H,30,31,32).
What are the key properties of N-methyl-N-[4-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide?
N-methyl-N-[4-[[(2-pyridin-3-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-3-ylquinazolin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 133316378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).