5-(butan-2-ylamino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide

C18H23N3O — CID 109181602

IUPAC5-(butan-2-ylamino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
SMILESCCC(C)Nc1ccc(C(=O)NCc2ccccc2C)nc1
InChIInChI=1S/C18H23N3O/c1-4-14(3)21-16-9-10-17(19-12-16)18(22)20-11-15-8-6-5-7-13(15)2/h5-10,12,14,21H,4,11H2,1-3H3,(H,20,22)
InChIKeyVGCFPXPMOVVTAP-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.53
Rot. Bonds6

About 5-(butan-2-ylamino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide

5-(butan-2-ylamino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide (PubChem CID 109181602) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 5-(butan-2-ylamino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(butan-2-ylamino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
PubChem CID109181602
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name5-(butan-2-ylamino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
SMILESCCC(C)Nc1ccc(C(=O)NCc2ccccc2C)nc1
InChIInChI=1S/C18H23N3O/c1-4-14(3)21-16-9-10-17(19-12-16)18(22)20-11-15-8-6-5-7-13(15)2/h5-10,12,14,21H,4,11H2,1-3H3,(H,20,22)
InChIKeyVGCFPXPMOVVTAP-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

N-[5-(butan-2-ylamino)-2-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113024277
N-(3-methylbutyl)-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188286
5-(butan-2-ylamino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109181620
5-[4-(diethylamino)anilino]-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188225
ethyl 2-[[6-[(2-methylphenyl)methylcarbamoyl]-3-pyridinyl]amino]benzoate
CID 109188236
6-N-butan-2-yl-2-N-[(2-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109094588
5-(2-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188237
5-(ethylamino)-N-[2-(2-methylphenyl)ethyl]pyridine-2-carboxamide
CID 104641754
N-[(2-methylphenyl)methyl]-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109188154
5-(3-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188238
N-[(2-methylphenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185110
5-(butan-2-ylamino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
CID 109181676

Frequently Asked Questions

What is the IUPAC name of 5-(butan-2-ylamino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-(butan-2-ylamino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide (CID 109181602) is 5-(butan-2-ylamino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(butan-2-ylamino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(butan-2-ylamino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide is CCC(C)Nc1ccc(C(=O)NCc2ccccc2C)nc1.
What is the InChIKey of 5-(butan-2-ylamino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is VGCFPXPMOVVTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-4-14(3)21-16-9-10-17(19-12-16)18(22)20-11-15-8-6-5-7-13(15)2/h5-10,12,14,21H,4,11H2,1-3H3,(H,20,22).
What are the key properties of 5-(butan-2-ylamino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide?
5-(butan-2-ylamino)-N-[(2-methylphenyl)methyl]pyridine-2-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 5-(butan-2-ylamino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109181602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).