N-butan-2-yl-4-(butylamino)pyridine-2-carboxamide

C14H23N3O — CID 109202657

IUPACN-butan-2-yl-4-(butylamino)pyridine-2-carboxamide
SMILESCCCCNc1ccnc(C(=O)NC(C)CC)c1
InChIInChI=1S/C14H23N3O/c1-4-6-8-15-12-7-9-16-13(10-12)14(18)17-11(3)5-2/h7,9-11H,4-6,8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyOBVZHUXLTBVLDR-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.82
Rot. Bonds7

About N-butan-2-yl-4-(butylamino)pyridine-2-carboxamide

N-butan-2-yl-4-(butylamino)pyridine-2-carboxamide (PubChem CID 109202657) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-butan-2-yl-4-(butylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-4-(butylamino)pyridine-2-carboxamide
PubChem CID109202657
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-butan-2-yl-4-(butylamino)pyridine-2-carboxamide
SMILESCCCCNc1ccnc(C(=O)NC(C)CC)c1
InChIInChI=1S/C14H23N3O/c1-4-6-8-15-12-7-9-16-13(10-12)14(18)17-11(3)5-2/h7,9-11H,4-6,8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyOBVZHUXLTBVLDR-UHFFFAOYSA-N
XLogP2.82
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-yl-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109203245
N-pentan-2-yl-4-(propylamino)pyridine-2-carboxamide
CID 62185598
N-butan-2-yl-4-(ethylamino)pyridine-2-carboxamide
CID 62171647
N-butan-2-yl-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109203268
N-butan-2-yl-5-(butylamino)pyridine-2-carboxamide
CID 109180814
N-hexan-2-yl-4-hydrazinylpyridine-2-carboxamide
CID 62237642
4-anilino-N-butan-2-ylpyridine-2-carboxamide
CID 109203318
N-butan-2-yl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide
CID 109203336
N-butan-2-yl-4-(cyclopentylamino)pyridine-2-carboxamide
CID 109203234
N-butan-2-yl-4-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
CID 109203420
4-(butylamino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109202744
N-butan-2-yl-4-(4-methoxyanilino)pyridine-2-carboxamide
CID 109203359

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(butylamino)pyridine-2-carboxamide?
The IUPAC name of N-butan-2-yl-4-(butylamino)pyridine-2-carboxamide (CID 109202657) is N-butan-2-yl-4-(butylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-4-(butylamino)pyridine-2-carboxamide?
The canonical SMILES for N-butan-2-yl-4-(butylamino)pyridine-2-carboxamide is CCCCNc1ccnc(C(=O)NC(C)CC)c1.
What is the InChIKey of N-butan-2-yl-4-(butylamino)pyridine-2-carboxamide?
The InChIKey is OBVZHUXLTBVLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-6-8-15-12-7-9-16-13(10-12)14(18)17-11(3)5-2/h7,9-11H,4-6,8H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of N-butan-2-yl-4-(butylamino)pyridine-2-carboxamide?
N-butan-2-yl-4-(butylamino)pyridine-2-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(butylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109202657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).