3-amino-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-2-carboxamide

C13H18N4O2 — CID 104742549

IUPAC3-amino-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-2-carboxamide
SMILESNc1cccnc1C(=O)NCCCC(=O)NC1CC1
InChIInChI=1S/C13H18N4O2/c14-10-3-1-7-15-12(10)13(19)16-8-2-4-11(18)17-9-5-6-9/h1,3,7,9H,2,4-6,8,14H2,(H,16,19)(H,17,18)
InChIKeyRFNCYCCDPFNVDI-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.45
Rot. Bonds6

About 3-amino-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-2-carboxamide

3-amino-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-2-carboxamide (PubChem CID 104742549) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-amino-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-2-carboxamide
PubChem CID104742549
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name3-amino-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-2-carboxamide
SMILESNc1cccnc1C(=O)NCCCC(=O)NC1CC1
InChIInChI=1S/C13H18N4O2/c14-10-3-1-7-15-12(10)13(19)16-8-2-4-11(18)17-9-5-6-9/h1,3,7,9H,2,4-6,8,14H2,(H,16,19)(H,17,18)
InChIKeyRFNCYCCDPFNVDI-UHFFFAOYSA-N
XLogP0.45
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.45
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

2-[[4-(cyclopropylamino)-4-oxobutyl]carbamoyl]pyridine-3-carboxylic acid
CID 79377281
4-amino-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide
CID 81245479
ethyl 4-[(3-aminopyridine-2-carbonyl)amino]butanoate
CID 104742417
3-amino-N-(1,1-dioxothian-4-yl)pyridine-2-carboxamide
CID 104741112
3-amino-N-(cyclopropylmethyl)pyridine-2-carboxamide
CID 104740792
4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbutanamide;hydrochloride
CID 120609190
3-amino-N-(4-methoxybutyl)pyridine-2-carboxamide
CID 104742127
3-amino-N-(1-cyclopropylpiperidin-4-yl)pyridine-2-carboxamide
CID 104741372
3-amino-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide
CID 113447750
2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-5-methylbenzamide
CID 79386137
4-[(3-chloro-2-pyridinyl)amino]-N-cyclopropylbutanamide
CID 79401819
N-[4-(cyclopropylamino)-4-oxobutyl]thiophene-2-carboxamide
CID 51180198

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-2-carboxamide (CID 104742549) is 3-amino-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-2-carboxamide is Nc1cccnc1C(=O)NCCCC(=O)NC1CC1.
What is the InChIKey of 3-amino-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-2-carboxamide?
The InChIKey is RFNCYCCDPFNVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c14-10-3-1-7-15-12(10)13(19)16-8-2-4-11(18)17-9-5-6-9/h1,3,7,9H,2,4-6,8,14H2,(H,16,19)(H,17,18).
What are the key properties of 3-amino-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-2-carboxamide?
3-amino-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-2-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 0.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-2-carboxamide is sourced from PubChem (CID 104742549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).