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

C15H19N3O — CID 79211040

IUPAC4-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)N(Cc2ccncc2)C2CC2)C1
InChIInChI=1S/C15H19N3O/c16-13-2-1-12(9-13)15(19)18(14-3-4-14)10-11-5-7-17-8-6-11/h1-2,5-8,12-14H,3-4,9-10,16H2
InChIKeyYPAXJCMLFUCXNQ-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.48
Rot. Bonds4

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

4-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclopent-2-ene-1-carboxamide (PubChem CID 79211040) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclopent-2-ene-1-carboxamide
PubChem CID79211040
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)N(Cc2ccncc2)C2CC2)C1
InChIInChI=1S/C15H19N3O/c16-13-2-1-12(9-13)15(19)18(14-3-4-14)10-11-5-7-17-8-6-11/h1-2,5-8,12-14H,3-4,9-10,16H2
InChIKeyYPAXJCMLFUCXNQ-UHFFFAOYSA-N
XLogP1.48
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.48
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-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropylcyclopent-2-ene-1-carboxamide
CID 79211120
4-(aminomethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclohexane-1-carboxamide
CID 79510873
4-amino-N-ethyl-N-pyridin-4-ylcyclopent-2-ene-1-carboxamide
CID 106935503
1-cyclopropyl-3-methyl-1-(pyridin-4-ylmethyl)urea
CID 71943890
N-cyclopropyl-2-methyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 106739301
3-[cyclopropyl(pyridin-4-ylmethyl)amino]-3-oxopropanoic acid
CID 62230754
4-amino-N-methyl-N-(pyridin-3-ylmethyl)cyclopent-2-ene-1-carboxamide
CID 79210443
4-amino-N-(2-amino-2-oxoethyl)-N-cyclopentylcyclopent-2-ene-1-carboxamide
CID 79210326
4-amino-N-cyclohexyl-N-ethylcyclopent-2-ene-1-carboxamide
CID 79211073
1-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide
CID 81172415
(3R)-3-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)butanamide
CID 93368626
2-[2-[cyclopropyl(pyridin-4-ylmethyl)amino]-2-oxoethoxy]acetic acid
CID 61327867

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclopent-2-ene-1-carboxamide (CID 79211040) is 4-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclopent-2-ene-1-carboxamide is NC1C=CC(C(=O)N(Cc2ccncc2)C2CC2)C1.
What is the InChIKey of 4-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is YPAXJCMLFUCXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-13-2-1-12(9-13)15(19)18(14-3-4-14)10-11-5-7-17-8-6-11/h1-2,5-8,12-14H,3-4,9-10,16H2.
What are the key properties of 4-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclopent-2-ene-1-carboxamide?
4-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79211040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).