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

C23H21N5O — CID 133305360

IUPACN-methyl-N-[4-[[(3-methylquinoxalin-2-yl)amino]methyl]phenyl]pyridine-4-carboxamide
SMILESCc1nc2ccccc2nc1NCc1ccc(N(C)C(=O)c2ccncc2)cc1
InChIInChI=1S/C23H21N5O/c1-16-22(27-21-6-4-3-5-20(21)26-16)25-15-17-7-9-19(10-8-17)28(2)23(29)18-11-13-24-14-12-18/h3-14H,15H2,1-2H3,(H,25,27)
InChIKeyNUILZRCMEAHJOB-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.22
Rot. Bonds5

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

N-methyl-N-[4-[[(3-methylquinoxalin-2-yl)amino]methyl]phenyl]pyridine-4-carboxamide (PubChem CID 133305360) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is N-methyl-N-[4-[[(3-methylquinoxalin-2-yl)amino]methyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[4-[[(3-methylquinoxalin-2-yl)amino]methyl]phenyl]pyridine-4-carboxamide
PubChem CID133305360
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC NameN-methyl-N-[4-[[(3-methylquinoxalin-2-yl)amino]methyl]phenyl]pyridine-4-carboxamide
SMILESCc1nc2ccccc2nc1NCc1ccc(N(C)C(=O)c2ccncc2)cc1
InChIInChI=1S/C23H21N5O/c1-16-22(27-21-6-4-3-5-20(21)26-16)25-15-17-7-9-19(10-8-17)28(2)23(29)18-11-13-24-14-12-18/h3-14H,15H2,1-2H3,(H,25,27)
InChIKeyNUILZRCMEAHJOB-UHFFFAOYSA-N
XLogP4.22
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[4-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 133316306
3-methyl-N-(pyridin-4-ylmethyl)quinoxalin-2-amine
CID 60734444
N-methyl-N-[4-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 133316378
N-[4-[[(6-chloropyrazin-2-yl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide
CID 133305379
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-methyl-N-[4-[(2-methyl-6-nitroanilino)methyl]phenyl]pyridine-4-carboxamide
CID 133316314
N-methyl-N-[4-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 133305352
N-[4-[(3-fluoro-2-nitroanilino)methyl]phenyl]-N-methylpyridine-4-carboxamide
CID 133316364
N-[4-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide;dihydrochloride
CID 119886989
N-methyl-N-[4-[[[1-(4-methylphenyl)tetrazol-5-yl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 133316335
N-methyl-N-[4-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]phenyl]pyridine-4-carboxamide;dihydrochloride
CID 119887019
N,6-dimethyl-N-phenyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109330141

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[[(3-methylquinoxalin-2-yl)amino]methyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-methyl-N-[4-[[(3-methylquinoxalin-2-yl)amino]methyl]phenyl]pyridine-4-carboxamide (CID 133305360) is N-methyl-N-[4-[[(3-methylquinoxalin-2-yl)amino]methyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-methyl-N-[4-[[(3-methylquinoxalin-2-yl)amino]methyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-methyl-N-[4-[[(3-methylquinoxalin-2-yl)amino]methyl]phenyl]pyridine-4-carboxamide is Cc1nc2ccccc2nc1NCc1ccc(N(C)C(=O)c2ccncc2)cc1.
What is the InChIKey of N-methyl-N-[4-[[(3-methylquinoxalin-2-yl)amino]methyl]phenyl]pyridine-4-carboxamide?
The InChIKey is NUILZRCMEAHJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c1-16-22(27-21-6-4-3-5-20(21)26-16)25-15-17-7-9-19(10-8-17)28(2)23(29)18-11-13-24-14-12-18/h3-14H,15H2,1-2H3,(H,25,27).
What are the key properties of N-methyl-N-[4-[[(3-methylquinoxalin-2-yl)amino]methyl]phenyl]pyridine-4-carboxamide?
N-methyl-N-[4-[[(3-methylquinoxalin-2-yl)amino]methyl]phenyl]pyridine-4-carboxamide has a molecular weight of 383.46 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[[(3-methylquinoxalin-2-yl)amino]methyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 133305360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).