N-(3-methoxyphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide

C17H21N3O2 — CID 109181325

IUPACN-(3-methoxyphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
SMILESCOc1cccc(NC(=O)c2ccc(NCC(C)C)cn2)c1
InChIInChI=1S/C17H21N3O2/c1-12(2)10-18-14-7-8-16(19-11-14)17(21)20-13-5-4-6-15(9-13)22-3/h4-9,11-12,18H,10H2,1-3H3,(H,20,21)
InChIKeyIDVIZQQDVWQQNN-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.41
Rot. Bonds6

About N-(3-methoxyphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide

N-(3-methoxyphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide (PubChem CID 109181325) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
PubChem CID109181325
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-(3-methoxyphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
SMILESCOc1cccc(NC(=O)c2ccc(NCC(C)C)cn2)c1
InChIInChI=1S/C17H21N3O2/c1-12(2)10-18-14-7-8-16(19-11-14)17(21)20-13-5-4-6-15(9-13)22-3/h4-9,11-12,18H,10H2,1-3H3,(H,20,21)
InChIKeyIDVIZQQDVWQQNN-UHFFFAOYSA-N
XLogP3.41
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181240
N-(3-methoxyphenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104640036
N-(2,5-dimethoxyphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181332
N-(3,4-dichlorophenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181373
2-N,5-N-bis(3-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 1368781
N-(3-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109192832
N-(3,4-dimethylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181294
5-(3-fluoroanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109199794
5-(3-acetamidoanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109199786
3-methoxy-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980344
N-(3-chloro-4-methylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181317
N-(3-methoxyphenyl)isoquinoline-3-carboxamide
CID 110859992

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide (CID 109181325) is N-(3-methoxyphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide is COc1cccc(NC(=O)c2ccc(NCC(C)C)cn2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide?
The InChIKey is IDVIZQQDVWQQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12(2)10-18-14-7-8-16(19-11-14)17(21)20-13-5-4-6-15(9-13)22-3/h4-9,11-12,18H,10H2,1-3H3,(H,20,21).
What are the key properties of N-(3-methoxyphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide?
N-(3-methoxyphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109181325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).