N-butan-2-yl-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide

C18H23N3O — CID 109225134

IUPACN-butan-2-yl-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1cncc(NCc2ccccc2C)c1
InChIInChI=1S/C18H23N3O/c1-4-14(3)21-18(22)16-9-17(12-19-10-16)20-11-15-8-6-5-7-13(15)2/h5-10,12,14,20H,4,11H2,1-3H3,(H,21,22)
InChIKeyPKFLEICWVOAZGL-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.53
Rot. Bonds6

About N-butan-2-yl-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide

N-butan-2-yl-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide (PubChem CID 109225134) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-butan-2-yl-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
PubChem CID109225134
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-butan-2-yl-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1cncc(NCc2ccccc2C)c1
InChIInChI=1S/C18H23N3O/c1-4-14(3)21-18(22)16-9-17(12-19-10-16)20-11-15-8-6-5-7-13(15)2/h5-10,12,14,20H,4,11H2,1-3H3,(H,21,22)
InChIKeyPKFLEICWVOAZGL-UHFFFAOYSA-N
XLogP3.53
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-methylphenyl)methylamino]-N-phenylpyridine-3-carboxamide
CID 109232130
N-tert-butyl-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232118
5-[(2-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109232147
N-(4-ethylphenyl)-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232144
N-(3-methylphenyl)-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232132
5-[(2-methylphenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109232172
N-butan-2-yl-5-(tert-butylamino)pyridine-3-carboxamide
CID 109225186
N-butan-2-yl-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109225189
4-N-butan-2-yl-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109044039
5-bromo-N-[1-(2-methylphenyl)propan-2-yl]pyridine-3-carboxamide
CID 47296504
N-butan-2-yl-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide
CID 109225219
ethyl 4-[[5-[(2-methylphenyl)methylamino]pyridine-3-carbonyl]amino]piperidine-1-carboxylate
CID 109232111

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of N-butan-2-yl-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide (CID 109225134) is N-butan-2-yl-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide is CCC(C)NC(=O)c1cncc(NCc2ccccc2C)c1.
What is the InChIKey of N-butan-2-yl-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide?
The InChIKey is PKFLEICWVOAZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-4-14(3)21-18(22)16-9-17(12-19-10-16)20-11-15-8-6-5-7-13(15)2/h5-10,12,14,20H,4,11H2,1-3H3,(H,21,22).
What are the key properties of N-butan-2-yl-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide?
N-butan-2-yl-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109225134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).