6-chloro-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide

C16H16ClN3O2 — CID 41433756

IUPAC6-chloro-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)c2ccc(Cl)nc2)cc1
InChIInChI=1S/C16H16ClN3O2/c1-18-15(21)12-5-3-11(4-6-12)10-20(2)16(22)13-7-8-14(17)19-9-13/h3-9H,10H2,1-2H3,(H,18,21)
InChIKeyFHWBFGGEYMGJMM-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.37
Rot. Bonds4

About 6-chloro-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide

6-chloro-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 41433756) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID41433756
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC Name6-chloro-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)c2ccc(Cl)nc2)cc1
InChIInChI=1S/C16H16ClN3O2/c1-18-15(21)12-5-3-11(4-6-12)10-20(2)16(22)13-7-8-14(17)19-9-13/h3-9H,10H2,1-2H3,(H,18,21)
InChIKeyFHWBFGGEYMGJMM-UHFFFAOYSA-N
XLogP2.37
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[[(6-chloropyridine-3-carbonyl)-methylamino]methyl]benzoate
CID 37417334
6-chloro-N-[(3-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 47298789
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]quinoxaline-2-carboxamide
CID 26722336
4-[[[4-[ethyl(methyl)amino]benzoyl]-methylamino]methyl]-N-methylbenzamide
CID 51094891
6-chloro-N-methyl-N-propylpyridine-3-carboxamide
CID 43271303
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]naphthalene-2-carboxamide
CID 8964487
6-chloro-N-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 60631168
6-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 9417730
methyl 3-[(6-chloropyridine-3-carbonyl)-methylamino]propanoate
CID 55031186
6-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 79004101
N-[(6-chloro-3-pyridinyl)methyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide
CID 78851149
7-chloro-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 8967170

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide (CID 41433756) is 6-chloro-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide is CNC(=O)c1ccc(CN(C)C(=O)c2ccc(Cl)nc2)cc1.
What is the InChIKey of 6-chloro-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is FHWBFGGEYMGJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c1-18-15(21)12-5-3-11(4-6-12)10-20(2)16(22)13-7-8-14(17)19-9-13/h3-9H,10H2,1-2H3,(H,18,21).
What are the key properties of 6-chloro-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide?
6-chloro-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 317.78 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 41433756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).