4-amino-N-methyl-N-(pyridin-3-ylmethyl)cyclopent-2-ene-1-carboxamide

C13H17N3O — CID 79210443

IUPAC4-amino-N-methyl-N-(pyridin-3-ylmethyl)cyclopent-2-ene-1-carboxamide
SMILESCN(Cc1cccnc1)C(=O)C1C=CC(N)C1
InChIInChI=1S/C13H17N3O/c1-16(9-10-3-2-6-15-8-10)13(17)11-4-5-12(14)7-11/h2-6,8,11-12H,7,9,14H2,1H3
InChIKeyHDUULJMBQQSKQH-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.94
Rot. Bonds3

About 4-amino-N-methyl-N-(pyridin-3-ylmethyl)cyclopent-2-ene-1-carboxamide

4-amino-N-methyl-N-(pyridin-3-ylmethyl)cyclopent-2-ene-1-carboxamide (PubChem CID 79210443) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(pyridin-3-ylmethyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-(pyridin-3-ylmethyl)cyclopent-2-ene-1-carboxamide
PubChem CID79210443
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-amino-N-methyl-N-(pyridin-3-ylmethyl)cyclopent-2-ene-1-carboxamide
SMILESCN(Cc1cccnc1)C(=O)C1C=CC(N)C1
InChIInChI=1S/C13H17N3O/c1-16(9-10-3-2-6-15-8-10)13(17)11-4-5-12(14)7-11/h2-6,8,11-12H,7,9,14H2,1H3
InChIKeyHDUULJMBQQSKQH-UHFFFAOYSA-N
XLogP0.94
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[(4-aminocyclopent-2-ene-1-carbonyl)-methylamino]methyl]benzamide
CID 79210320
2-amino-N-methyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 64824292
4-amino-N-ethyl-N-methylcyclopent-2-ene-1-carboxamide
CID 79211003
(2S)-N-methyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 61155587
cyclopentyl N-methyl-N-(pyridin-3-ylmethyl)carbamate
CID 112738794
N-methyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide;dihydrochloride
CID 119958234
2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 19420340
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
2-amino-N-methyl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 82237360
2-amino-2-ethyl-N-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 79809149
3-amino-2-hydroxy-N-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 115180694
N-(pyridin-3-ylmethyl)propanehydrazide
CID 70312825

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-(pyridin-3-ylmethyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-(pyridin-3-ylmethyl)cyclopent-2-ene-1-carboxamide (CID 79210443) is 4-amino-N-methyl-N-(pyridin-3-ylmethyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-(pyridin-3-ylmethyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-(pyridin-3-ylmethyl)cyclopent-2-ene-1-carboxamide is CN(Cc1cccnc1)C(=O)C1C=CC(N)C1.
What is the InChIKey of 4-amino-N-methyl-N-(pyridin-3-ylmethyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is HDUULJMBQQSKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-16(9-10-3-2-6-15-8-10)13(17)11-4-5-12(14)7-11/h2-6,8,11-12H,7,9,14H2,1H3.
What are the key properties of 4-amino-N-methyl-N-(pyridin-3-ylmethyl)cyclopent-2-ene-1-carboxamide?
4-amino-N-methyl-N-(pyridin-3-ylmethyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 231.30 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-(pyridin-3-ylmethyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79210443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).