N-butan-2-yl-5-(tert-butylamino)pyridine-3-carboxamide

C14H23N3O — CID 109225186

IUPACN-butan-2-yl-5-(tert-butylamino)pyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1cncc(NC(C)(C)C)c1
InChIInChI=1S/C14H23N3O/c1-6-10(2)16-13(18)11-7-12(9-15-8-11)17-14(3,4)5/h7-10,17H,6H2,1-5H3,(H,16,18)
InChIKeyOPBKWXSMSWLRJH-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.82
Rot. Bonds4

About N-butan-2-yl-5-(tert-butylamino)pyridine-3-carboxamide

N-butan-2-yl-5-(tert-butylamino)pyridine-3-carboxamide (PubChem CID 109225186) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-butan-2-yl-5-(tert-butylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-(tert-butylamino)pyridine-3-carboxamide
PubChem CID109225186
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-butan-2-yl-5-(tert-butylamino)pyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1cncc(NC(C)(C)C)c1
InChIInChI=1S/C14H23N3O/c1-6-10(2)16-13(18)11-7-12(9-15-8-11)17-14(3,4)5/h7-10,17H,6H2,1-5H3,(H,16,18)
InChIKeyOPBKWXSMSWLRJH-UHFFFAOYSA-N
XLogP2.82
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-butan-2-yl-5-(tert-butylamino)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-yl-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109225189
N-butan-2-yl-5-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109225122
N-butan-2-yl-5-(3,5-dichloroanilino)pyridine-3-carboxamide
CID 109225291
N-butan-2-yl-5-fluoropyridine-3-carboxamide
CID 115694418
N-butan-2-yl-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide
CID 109225219
N-butan-2-yl-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109225134
N-butan-2-yl-5-(4-cyanoanilino)pyridine-3-carboxamide
CID 109225300
N-butan-2-yl-5-(3-chloro-4-methylanilino)pyridine-3-carboxamide
CID 109225232
3-N-(3-acetylphenyl)-5-N-butan-2-ylpyridine-3,5-dicarboxamide
CID 109102422
5-N-butan-2-yl-3-N-butylpyridine-3,5-dicarboxamide
CID 109101912
N-butan-2-yl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide
CID 109225120
5-N-butan-2-yl-3-N-(4-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109102383

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-(tert-butylamino)pyridine-3-carboxamide?
The IUPAC name of N-butan-2-yl-5-(tert-butylamino)pyridine-3-carboxamide (CID 109225186) is N-butan-2-yl-5-(tert-butylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-(tert-butylamino)pyridine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-5-(tert-butylamino)pyridine-3-carboxamide is CCC(C)NC(=O)c1cncc(NC(C)(C)C)c1.
What is the InChIKey of N-butan-2-yl-5-(tert-butylamino)pyridine-3-carboxamide?
The InChIKey is OPBKWXSMSWLRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-6-10(2)16-13(18)11-7-12(9-15-8-11)17-14(3,4)5/h7-10,17H,6H2,1-5H3,(H,16,18).
What are the key properties of N-butan-2-yl-5-(tert-butylamino)pyridine-3-carboxamide?
N-butan-2-yl-5-(tert-butylamino)pyridine-3-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 2.82, 4 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-(tert-butylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109225186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).