N-[(2-chlorophenyl)methyl]-5-(propan-2-ylamino)pyridine-3-carboxamide

C16H18ClN3O — CID 109223386

IUPACN-[(2-chlorophenyl)methyl]-5-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cncc(C(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C16H18ClN3O/c1-11(2)20-14-7-13(8-18-10-14)16(21)19-9-12-5-3-4-6-15(12)17/h3-8,10-11,20H,9H2,1-2H3,(H,19,21)
InChIKeyOHAGOQVOISCMNM-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.49
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-5-(propan-2-ylamino)pyridine-3-carboxamide

N-[(2-chlorophenyl)methyl]-5-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 109223386) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-5-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-5-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID109223386
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC NameN-[(2-chlorophenyl)methyl]-5-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cncc(C(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C16H18ClN3O/c1-11(2)20-14-7-13(8-18-10-14)16(21)19-9-12-5-3-4-6-15(12)17/h3-8,10-11,20H,9H2,1-2H3,(H,19,21)
InChIKeyOHAGOQVOISCMNM-UHFFFAOYSA-N
XLogP3.49
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-5-[2-(2-fluorophenyl)ethylamino]pyridine-3-carboxamide
CID 109233796
N-[(2-chlorophenyl)methyl]-5-(3-cyanoanilino)pyridine-3-carboxamide
CID 109233871
N-[(2-chlorophenyl)methyl]-5-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109233806
5-[(2-chlorophenyl)methylamino]-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232221
5-N-butyl-3-N-[(2-chlorophenyl)methyl]-5-N-methylpyridine-3,5-dicarboxamide
CID 109105659
N-[2-(4-chlorophenyl)ethyl]-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223411
N-benzyl-5-(1-phenylethylamino)pyridine-3-carboxamide
CID 109231634
5-[benzyl(ethyl)amino]-N-[(2-chlorophenyl)methyl]pyridine-3-carboxamide
CID 109233790
1-N-[(2-chlorophenyl)methyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043860
5-(propan-2-ylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109223495
5-[(2-chlorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228749
N-(2,4-dichlorophenyl)-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223536

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-5-(propan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-5-(propan-2-ylamino)pyridine-3-carboxamide (CID 109223386) is N-[(2-chlorophenyl)methyl]-5-(propan-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-5-(propan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-5-(propan-2-ylamino)pyridine-3-carboxamide is CC(C)Nc1cncc(C(=O)NCc2ccccc2Cl)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-5-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is OHAGOQVOISCMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-11(2)20-14-7-13(8-18-10-14)16(21)19-9-12-5-3-4-6-15(12)17/h3-8,10-11,20H,9H2,1-2H3,(H,19,21).
What are the key properties of N-[(2-chlorophenyl)methyl]-5-(propan-2-ylamino)pyridine-3-carboxamide?
N-[(2-chlorophenyl)methyl]-5-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-5-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109223386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).