4-amino-N-[6-(diethylamino)-3-pyridinyl]cyclopent-2-ene-1-carboxamide

C15H22N4O — CID 79211338

IUPAC4-amino-N-[6-(diethylamino)-3-pyridinyl]cyclopent-2-ene-1-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2C=CC(N)C2)cn1
InChIInChI=1S/C15H22N4O/c1-3-19(4-2)14-8-7-13(10-17-14)18-15(20)11-5-6-12(16)9-11/h5-8,10-12H,3-4,9,16H2,1-2H3,(H,18,20)
InChIKeyNXDRTCMPEXMCPV-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.77
Rot. Bonds5

About 4-amino-N-[6-(diethylamino)-3-pyridinyl]cyclopent-2-ene-1-carboxamide

4-amino-N-[6-(diethylamino)-3-pyridinyl]cyclopent-2-ene-1-carboxamide (PubChem CID 79211338) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-amino-N-[6-(diethylamino)-3-pyridinyl]cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[6-(diethylamino)-3-pyridinyl]cyclopent-2-ene-1-carboxamide
PubChem CID79211338
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name4-amino-N-[6-(diethylamino)-3-pyridinyl]cyclopent-2-ene-1-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2C=CC(N)C2)cn1
InChIInChI=1S/C15H22N4O/c1-3-19(4-2)14-8-7-13(10-17-14)18-15(20)11-5-6-12(16)9-11/h5-8,10-12H,3-4,9,16H2,1-2H3,(H,18,20)
InChIKeyNXDRTCMPEXMCPV-UHFFFAOYSA-N
XLogP1.77
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(diethylamino)-3-pyridinyl]piperidine-2-carboxamide
CID 43705952
2-[1-(aminomethyl)cyclobutyl]-N-[6-(diethylamino)-3-pyridinyl]acetamide
CID 81171833
4-amino-N-(6-pyrazol-1-yl-3-pyridinyl)cyclopent-2-ene-1-carboxamide
CID 79210458
4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-N,N-dimethylbenzamide
CID 79211253
4-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclopent-2-ene-1-carboxamide
CID 79209286
4-amino-N-(3,4-dichlorophenyl)cyclopent-2-ene-1-carboxamide
CID 79210508
1-[6-(diethylamino)-3-pyridinyl]-3-[(2R)-1-hydroxybutan-2-yl]urea
CID 94168619
2-amino-N-[6-(diethylamino)-3-pyridinyl]-3-methylbutanamide
CID 43705956
4-amino-N-(3-propoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 79210859
(2R,3S)-N-[6-(diethylamino)-3-pyridinyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120938917
N-[6-(diethylamino)-3-pyridinyl]-3-methylbut-2-enamide
CID 47243914
(2R)-2-amino-N-[6-(diethylamino)-3-pyridinyl]-3,3-dimethylbutanamide
CID 103928749

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[6-(diethylamino)-3-pyridinyl]cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-[6-(diethylamino)-3-pyridinyl]cyclopent-2-ene-1-carboxamide (CID 79211338) is 4-amino-N-[6-(diethylamino)-3-pyridinyl]cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-[6-(diethylamino)-3-pyridinyl]cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-[6-(diethylamino)-3-pyridinyl]cyclopent-2-ene-1-carboxamide is CCN(CC)c1ccc(NC(=O)C2C=CC(N)C2)cn1.
What is the InChIKey of 4-amino-N-[6-(diethylamino)-3-pyridinyl]cyclopent-2-ene-1-carboxamide?
The InChIKey is NXDRTCMPEXMCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-3-19(4-2)14-8-7-13(10-17-14)18-15(20)11-5-6-12(16)9-11/h5-8,10-12H,3-4,9,16H2,1-2H3,(H,18,20).
What are the key properties of 4-amino-N-[6-(diethylamino)-3-pyridinyl]cyclopent-2-ene-1-carboxamide?
4-amino-N-[6-(diethylamino)-3-pyridinyl]cyclopent-2-ene-1-carboxamide has a molecular weight of 274.37 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[6-(diethylamino)-3-pyridinyl]cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79211338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).