N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]prop-2-ynamide

C23H23N7O2 — CID 66555734

IUPACN-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]prop-2-ynamide
SMILESC#CC(=O)N(c1ccc(-n2cnnn2)c(C)c1)C(C(=O)NC1CCCC1)c1cccnc1
InChIInChI=1S/C23H23N7O2/c1-3-21(31)30(19-10-11-20(16(2)13-19)29-15-25-27-28-29)22(17-7-6-12-24-14-17)23(32)26-18-8-4-5-9-18/h1,6-7,10-15,18,22H,4-5,8-9H2,2H3,(H,26,32)
InChIKeyQSPBVALXLDSEPL-UHFFFAOYSA-N
MW429.48 g/mol
LogP2.13
Rot. Bonds6

About N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]prop-2-ynamide

N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]prop-2-ynamide (PubChem CID 66555734) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]prop-2-ynamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]prop-2-ynamide
PubChem CID66555734
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC NameN-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]prop-2-ynamide
SMILESC#CC(=O)N(c1ccc(-n2cnnn2)c(C)c1)C(C(=O)NC1CCCC1)c1cccnc1
InChIInChI=1S/C23H23N7O2/c1-3-21(31)30(19-10-11-20(16(2)13-19)29-15-25-27-28-29)22(17-7-6-12-24-14-17)23(32)26-18-8-4-5-9-18/h1,6-7,10-15,18,22H,4-5,8-9H2,2H3,(H,26,32)
InChIKeyQSPBVALXLDSEPL-UHFFFAOYSA-N
XLogP2.13
TPSA105.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]prop-2-ynamide
CID 1466114
N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]prop-2-ynamide
CID 66555387
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3,4-dimethylphenyl)thiadiazole-4-carboxamide
CID 3805319
(3S)-N-[(1S)-2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 1174485
(2R)-2-[N-[2-(benzotriazol-1-yl)acetyl]-3-methyl-4-(tetrazol-1-yl)anilino]-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-4-ylacetamide
CID 98098711
(2R)-2-[N-[2-(benzotriazol-1-yl)acetyl]-3-methyl-4-(tetrazol-1-yl)anilino]-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylacetamide
CID 98098022
N-(1,3-benzodioxol-5-yl)-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]prop-2-ynamide
CID 1466116
N-[(1S)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(2-methylphenyl)prop-2-ynamide
CID 1466138
2-(4-tert-butyl-N-prop-2-ynylanilino)-N-cyclohexyl-2-pyridin-3-ylacetamide
CID 168791167
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2,4,6-trimethylphenyl)furan-2-carboxamide
CID 3196515
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-methylphenyl)furan-2-carboxamide
CID 1469065
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-methylphenyl)furan-2-carboxamide
CID 3196514

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]prop-2-ynamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]prop-2-ynamide (CID 66555734) is N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]prop-2-ynamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]prop-2-ynamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]prop-2-ynamide is C#CC(=O)N(c1ccc(-n2cnnn2)c(C)c1)C(C(=O)NC1CCCC1)c1cccnc1.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]prop-2-ynamide?
The InChIKey is QSPBVALXLDSEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2/c1-3-21(31)30(19-10-11-20(16(2)13-19)29-15-25-27-28-29)22(17-7-6-12-24-14-17)23(32)26-18-8-4-5-9-18/h1,6-7,10-15,18,22H,4-5,8-9H2,2H3,(H,26,32).
What are the key properties of N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]prop-2-ynamide?
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]prop-2-ynamide has a molecular weight of 429.48 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]prop-2-ynamide is sourced from PubChem (CID 66555734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).