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

C14H23N3O — CID 109180814

IUPACN-butan-2-yl-5-(butylamino)pyridine-2-carboxamide
SMILESCCCCNc1ccc(C(=O)NC(C)CC)nc1
InChIInChI=1S/C14H23N3O/c1-4-6-9-15-12-7-8-13(16-10-12)14(18)17-11(3)5-2/h7-8,10-11,15H,4-6,9H2,1-3H3,(H,17,18)
InChIKeyRKKLXCNZTBDZJT-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.82
Rot. Bonds7

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

N-butan-2-yl-5-(butylamino)pyridine-2-carboxamide (PubChem CID 109180814) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-butan-2-yl-5-(butylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-(butylamino)pyridine-2-carboxamide
PubChem CID109180814
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-butan-2-yl-5-(butylamino)pyridine-2-carboxamide
SMILESCCCCNc1ccc(C(=O)NC(C)CC)nc1
InChIInChI=1S/C14H23N3O/c1-4-6-9-15-12-7-8-13(16-10-12)14(18)17-11(3)5-2/h7-8,10-11,15H,4-6,9H2,1-3H3,(H,17,18)
InChIKeyRKKLXCNZTBDZJT-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-5-(propylamino)pyridine-2-carboxamide
CID 109179241
N-octan-2-yl-5-(propylamino)pyridine-2-carboxamide
CID 104640604
5-(ethylamino)-N-hexan-2-ylpyridine-2-carboxamide
CID 113436154
N-butan-2-yl-4-(butylamino)pyridine-2-carboxamide
CID 109202657
5-(butylamino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109180889
N-butan-2-yl-5-(prop-2-enylamino)pyridine-2-carboxamide
CID 109180426
N-(4-methoxybutan-2-yl)-5-(propylamino)pyridine-2-carboxamide
CID 104641554
5-(butylamino)-N-(4-chlorophenyl)pyridine-2-carboxamide
CID 109180928
5-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844981
2-N,5-N-bis[(2S)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844984
N-butan-2-yl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109181397
N-butan-2-yl-5-(3-fluoroanilino)pyridine-2-carboxamide
CID 109181549

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-(butylamino)pyridine-2-carboxamide?
The IUPAC name of N-butan-2-yl-5-(butylamino)pyridine-2-carboxamide (CID 109180814) is N-butan-2-yl-5-(butylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-(butylamino)pyridine-2-carboxamide?
The canonical SMILES for N-butan-2-yl-5-(butylamino)pyridine-2-carboxamide is CCCCNc1ccc(C(=O)NC(C)CC)nc1.
What is the InChIKey of N-butan-2-yl-5-(butylamino)pyridine-2-carboxamide?
The InChIKey is RKKLXCNZTBDZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-6-9-15-12-7-8-13(16-10-12)14(18)17-11(3)5-2/h7-8,10-11,15H,4-6,9H2,1-3H3,(H,17,18).
What are the key properties of N-butan-2-yl-5-(butylamino)pyridine-2-carboxamide?
N-butan-2-yl-5-(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-5-(butylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109180814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).