N-[4-[[(6-chloropyrazin-2-yl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide

C18H16ClN5O — CID 133305379

IUPACN-[4-[[(6-chloropyrazin-2-yl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide
SMILESCN(C(=O)c1ccncc1)c1ccc(CNc2cncc(Cl)n2)cc1
InChIInChI=1S/C18H16ClN5O/c1-24(18(25)14-6-8-20-9-7-14)15-4-2-13(3-5-15)10-22-17-12-21-11-16(19)23-17/h2-9,11-12H,10H2,1H3,(H,22,23)
InChIKeyVWXGVZXSIQTDJP-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.41
Rot. Bonds5

About N-[4-[[(6-chloropyrazin-2-yl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide

N-[4-[[(6-chloropyrazin-2-yl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide (PubChem CID 133305379) has the molecular formula C18H16ClN5O and a molecular weight of 353.81 g/mol. Its IUPAC name is N-[4-[[(6-chloropyrazin-2-yl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[[(6-chloropyrazin-2-yl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide
PubChem CID133305379
Molecular FormulaC18H16ClN5O
Molecular Weight353.81 g/mol
Exact Mass353.10
IUPAC NameN-[4-[[(6-chloropyrazin-2-yl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide
SMILESCN(C(=O)c1ccncc1)c1ccc(CNc2cncc(Cl)n2)cc1
InChIInChI=1S/C18H16ClN5O/c1-24(18(25)14-6-8-20-9-7-14)15-4-2-13(3-5-15)10-22-17-12-21-11-16(19)23-17/h2-9,11-12H,10H2,1H3,(H,22,23)
InChIKeyVWXGVZXSIQTDJP-UHFFFAOYSA-N
XLogP3.41
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[4-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 133305352
N-methyl-N-[4-[[(3-methylquinoxalin-2-yl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 133305360
N-[4-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide;dihydrochloride
CID 119886989
N-methyl-N-[4-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 133316306
N-methyl-N-[4-[[[1-(4-methylphenyl)tetrazol-5-yl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 133316335
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-pyridin-3-ylquinazolin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 133316378
N-methyl-N-[4-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]phenyl]pyridine-4-carboxamide;dihydrochloride
CID 119887019
N-[4-[(3-fluoro-2-nitroanilino)methyl]phenyl]-N-methylpyridine-4-carboxamide
CID 133316364
N-methyl-N-[4-[(2-methyl-6-nitroanilino)methyl]phenyl]pyridine-4-carboxamide
CID 133316314
N-[4-[[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide
CID 137274748
6-chloro-N-(4-ethylphenyl)-N-methylpyrazine-2-carboxamide
CID 114035324

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(6-chloropyrazin-2-yl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide?
The IUPAC name of N-[4-[[(6-chloropyrazin-2-yl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide (CID 133305379) is N-[4-[[(6-chloropyrazin-2-yl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[4-[[(6-chloropyrazin-2-yl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-[4-[[(6-chloropyrazin-2-yl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide is CN(C(=O)c1ccncc1)c1ccc(CNc2cncc(Cl)n2)cc1.
What is the InChIKey of N-[4-[[(6-chloropyrazin-2-yl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide?
The InChIKey is VWXGVZXSIQTDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O/c1-24(18(25)14-6-8-20-9-7-14)15-4-2-13(3-5-15)10-22-17-12-21-11-16(19)23-17/h2-9,11-12H,10H2,1H3,(H,22,23).
What are the key properties of N-[4-[[(6-chloropyrazin-2-yl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide?
N-[4-[[(6-chloropyrazin-2-yl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide has a molecular weight of 353.81 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(6-chloropyrazin-2-yl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 133305379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).