N-(4-amino-4-oxobutyl)-2-(propylamino)pyridine-4-carboxamide

C13H20N4O2 — CID 55046885

IUPACN-(4-amino-4-oxobutyl)-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)NCCCC(N)=O)ccn1
InChIInChI=1S/C13H20N4O2/c1-2-6-15-12-9-10(5-8-16-12)13(19)17-7-3-4-11(14)18/h5,8-9H,2-4,6-7H2,1H3,(H2,14,18)(H,15,16)(H,17,19)
InChIKeyKUANVVJVUGQQKS-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.90
Rot. Bonds8

About N-(4-amino-4-oxobutyl)-2-(propylamino)pyridine-4-carboxamide

N-(4-amino-4-oxobutyl)-2-(propylamino)pyridine-4-carboxamide (PubChem CID 55046885) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-(4-amino-4-oxobutyl)-2-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-amino-4-oxobutyl)-2-(propylamino)pyridine-4-carboxamide
PubChem CID55046885
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-(4-amino-4-oxobutyl)-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)NCCCC(N)=O)ccn1
InChIInChI=1S/C13H20N4O2/c1-2-6-15-12-9-10(5-8-16-12)13(19)17-7-3-4-11(14)18/h5,8-9H,2-4,6-7H2,1H3,(H2,14,18)(H,15,16)(H,17,19)
InChIKeyKUANVVJVUGQQKS-UHFFFAOYSA-N
XLogP0.90
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-(propylamino)pyridine-4-carboxamide
CID 62185279
N-[3-(dimethylamino)propyl]-2-(propylamino)pyridine-4-carboxamide
CID 55042326
N-(3-phenylpropyl)-2-(propylamino)pyridine-4-carboxamide
CID 109165110
N-(2,2-dimethylpropyl)-2-(propylamino)pyridine-4-carboxamide
CID 62179912
N-(4-propan-2-yloxybutyl)-2-(propylamino)pyridine-4-carboxamide
CID 106015134
N-[2-(diethylamino)ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 62173284
N-methyl-2-(propylamino)pyridine-4-carboxamide
CID 62170975
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(propylamino)pyridine-4-carboxamide
CID 55047201
N-butyl-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide
CID 109165408
N-(2-methylbutyl)-2-(propylamino)pyridine-4-carboxamide
CID 62694218
2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
CID 62176334
N-[2-[methyl(propan-2-yl)amino]ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 62640587

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-oxobutyl)-2-(propylamino)pyridine-4-carboxamide?
The IUPAC name of N-(4-amino-4-oxobutyl)-2-(propylamino)pyridine-4-carboxamide (CID 55046885) is N-(4-amino-4-oxobutyl)-2-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-amino-4-oxobutyl)-2-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(4-amino-4-oxobutyl)-2-(propylamino)pyridine-4-carboxamide is CCCNc1cc(C(=O)NCCCC(N)=O)ccn1.
What is the InChIKey of N-(4-amino-4-oxobutyl)-2-(propylamino)pyridine-4-carboxamide?
The InChIKey is KUANVVJVUGQQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-2-6-15-12-9-10(5-8-16-12)13(19)17-7-3-4-11(14)18/h5,8-9H,2-4,6-7H2,1H3,(H2,14,18)(H,15,16)(H,17,19).
What are the key properties of N-(4-amino-4-oxobutyl)-2-(propylamino)pyridine-4-carboxamide?
N-(4-amino-4-oxobutyl)-2-(propylamino)pyridine-4-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.90, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-oxobutyl)-2-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 55046885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).