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

C12H15N3O — CID 79211315

IUPAC4-amino-N-(3-methyl-2-pyridinyl)cyclopent-2-ene-1-carboxamide
SMILESCc1cccnc1NC(=O)C1C=CC(N)C1
InChIInChI=1S/C12H15N3O/c1-8-3-2-6-14-11(8)15-12(16)9-4-5-10(13)7-9/h2-6,9-10H,7,13H2,1H3,(H,14,15,16)
InChIKeyFMXONIKECBVFMV-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.23
Rot. Bonds2

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

4-amino-N-(3-methyl-2-pyridinyl)cyclopent-2-ene-1-carboxamide (PubChem CID 79211315) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-amino-N-(3-methyl-2-pyridinyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-methyl-2-pyridinyl)cyclopent-2-ene-1-carboxamide
PubChem CID79211315
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name4-amino-N-(3-methyl-2-pyridinyl)cyclopent-2-ene-1-carboxamide
SMILESCc1cccnc1NC(=O)C1C=CC(N)C1
InChIInChI=1S/C12H15N3O/c1-8-3-2-6-14-11(8)15-12(16)9-4-5-10(13)7-9/h2-6,9-10H,7,13H2,1H3,(H,14,15,16)
InChIKeyFMXONIKECBVFMV-UHFFFAOYSA-N
XLogP1.23
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2,3-dimethylphenyl)cyclopent-2-ene-1-carboxamide
CID 79211393
4-amino-N-(3-methyl-2-pyridinyl)oxolane-3-carboxamide
CID 66240401
4-amino-N-quinolin-6-ylcyclopent-2-ene-1-carboxamide
CID 79207327
N-(3-methyl-2-pyridinyl)adamantane-1-carboxamide
CID 3142834
2-(4-fluorophenyl)-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 51292131
(1S,2S,4S)-N-(3-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7083370
4-amino-N-(3-chloro-4-methylphenyl)cyclopent-2-ene-1-carboxamide
CID 79211066
(2S,4S)-2-methyl-N-(3-methyl-2-pyridinyl)piperidine-4-carboxamide;hydrochloride
CID 120631492
1-[(3-methyl-2-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62095862
1-methyl-3-(3-methyl-2-pyridinyl)urea
CID 17171367
(4-aminocyclopent-2-en-1-yl)-(2-methylphenyl)methanone
CID 116584995
2-amino-N-(3-methyl-2-pyridinyl)propanamide
CID 60731979

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-methyl-2-pyridinyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(3-methyl-2-pyridinyl)cyclopent-2-ene-1-carboxamide (CID 79211315) is 4-amino-N-(3-methyl-2-pyridinyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(3-methyl-2-pyridinyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(3-methyl-2-pyridinyl)cyclopent-2-ene-1-carboxamide is Cc1cccnc1NC(=O)C1C=CC(N)C1.
What is the InChIKey of 4-amino-N-(3-methyl-2-pyridinyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is FMXONIKECBVFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8-3-2-6-14-11(8)15-12(16)9-4-5-10(13)7-9/h2-6,9-10H,7,13H2,1H3,(H,14,15,16).
What are the key properties of 4-amino-N-(3-methyl-2-pyridinyl)cyclopent-2-ene-1-carboxamide?
4-amino-N-(3-methyl-2-pyridinyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 217.27 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-methyl-2-pyridinyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79211315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).