1-(aminomethyl)-N-(6-oxo-1-propyl-3-pyridinyl)cyclopropane-1-carboxamide

C13H19N3O2 — CID 113312813

IUPAC1-(aminomethyl)-N-(6-oxo-1-propyl-3-pyridinyl)cyclopropane-1-carboxamide
SMILESCCCn1cc(NC(=O)C2(CN)CC2)ccc1=O
InChIInChI=1S/C13H19N3O2/c1-2-7-16-8-10(3-4-11(16)17)15-12(18)13(9-14)5-6-13/h3-4,8H,2,5-7,9,14H2,1H3,(H,15,18)
InChIKeyGRNNDFVJBJTMSI-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.94
Rot. Bonds5

About 1-(aminomethyl)-N-(6-oxo-1-propyl-3-pyridinyl)cyclopropane-1-carboxamide

1-(aminomethyl)-N-(6-oxo-1-propyl-3-pyridinyl)cyclopropane-1-carboxamide (PubChem CID 113312813) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(6-oxo-1-propyl-3-pyridinyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(6-oxo-1-propyl-3-pyridinyl)cyclopropane-1-carboxamide
PubChem CID113312813
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-(aminomethyl)-N-(6-oxo-1-propyl-3-pyridinyl)cyclopropane-1-carboxamide
SMILESCCCn1cc(NC(=O)C2(CN)CC2)ccc1=O
InChIInChI=1S/C13H19N3O2/c1-2-7-16-8-10(3-4-11(16)17)15-12(18)13(9-14)5-6-13/h3-4,8H,2,5-7,9,14H2,1H3,(H,15,18)
InChIKeyGRNNDFVJBJTMSI-UHFFFAOYSA-N
XLogP0.94
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-(6-oxo-1-propyl-3-pyridinyl)cyclopropane-1-carboxamide
CID 65465309
1-(aminomethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide
CID 115437467
3-ethyl-N-(6-oxo-1-propyl-3-pyridinyl)pyrrolidine-3-carboxamide
CID 63140353
2-(aminomethyl)-2-ethyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide
CID 115431967
2-bromo-N-(6-oxo-1-propyl-3-pyridinyl)acetamide
CID 63680838
2-(aminomethyl)-3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide
CID 65230096
4-amino-3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide
CID 81075823
2,2,2-trifluoro-N-(6-oxo-1-propyl-3-pyridinyl)acetamide
CID 62657037
3,5-diamino-N-(6-oxo-1-propyl-3-pyridinyl)benzamide
CID 61103566
2-amino-2-cyclopropyl-N-(6-oxo-1-propyl-3-pyridinyl)propanamide
CID 54862603
1-(2-aminoethyl)-N-(6-oxo-1-propyl-3-pyridinyl)imidazole-4-carboxamide
CID 107496780
2-amino-4-methyl-N-(6-oxo-1-propyl-3-pyridinyl)pentanamide
CID 54862542

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(6-oxo-1-propyl-3-pyridinyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(6-oxo-1-propyl-3-pyridinyl)cyclopropane-1-carboxamide (CID 113312813) is 1-(aminomethyl)-N-(6-oxo-1-propyl-3-pyridinyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(6-oxo-1-propyl-3-pyridinyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(6-oxo-1-propyl-3-pyridinyl)cyclopropane-1-carboxamide is CCCn1cc(NC(=O)C2(CN)CC2)ccc1=O.
What is the InChIKey of 1-(aminomethyl)-N-(6-oxo-1-propyl-3-pyridinyl)cyclopropane-1-carboxamide?
The InChIKey is GRNNDFVJBJTMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-7-16-8-10(3-4-11(16)17)15-12(18)13(9-14)5-6-13/h3-4,8H,2,5-7,9,14H2,1H3,(H,15,18).
What are the key properties of 1-(aminomethyl)-N-(6-oxo-1-propyl-3-pyridinyl)cyclopropane-1-carboxamide?
1-(aminomethyl)-N-(6-oxo-1-propyl-3-pyridinyl)cyclopropane-1-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(6-oxo-1-propyl-3-pyridinyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 113312813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).