N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]but-2-ynamide

C24H27N3O2 — CID 166632953

IUPACN-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]but-2-ynamide
SMILESCC#CC(=O)N(Cc1ccccc1)C(C(=O)NC1CCCCC1)c1cccnc1
InChIInChI=1S/C24H27N3O2/c1-2-10-22(28)27(18-19-11-5-3-6-12-19)23(20-13-9-16-25-17-20)24(29)26-21-14-7-4-8-15-21/h3,5-6,9,11-13,16-17,21,23H,4,7-8,14-15,18H2,1H3,(H,26,29)
InChIKeyUCOFBDHTRRRUAG-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.62
Rot. Bonds6

About N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]but-2-ynamide

N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]but-2-ynamide (PubChem CID 166632953) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]but-2-ynamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]but-2-ynamide
PubChem CID166632953
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]but-2-ynamide
SMILESCC#CC(=O)N(Cc1ccccc1)C(C(=O)NC1CCCCC1)c1cccnc1
InChIInChI=1S/C24H27N3O2/c1-2-10-22(28)27(18-19-11-5-3-6-12-19)23(20-13-9-16-25-17-20)24(29)26-21-14-7-4-8-15-21/h3,5-6,9,11-13,16-17,21,23H,4,7-8,14-15,18H2,1H3,(H,26,29)
InChIKeyUCOFBDHTRRRUAG-UHFFFAOYSA-N
XLogP3.62
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[benzyl-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 3211636
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 3196483
2-[(2-chloroacetyl)-[(2-methoxyphenyl)methyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide
CID 4642657
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 3196479
N-butyl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]pentanamide
CID 163155340
N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-pyrazin-2-ylethyl]benzamide
CID 166332781
2-[(2-chloroacetyl)-[2-(3-chlorophenyl)ethyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide
CID 162533663
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
CID 3196481
[3-[1-[acetyl(benzyl)amino]-2-(cyclohexylamino)-2-oxoethyl]phenyl]boronic acid
CID 102127298
N-cyclohexyl-N'-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N'-(pyridin-3-ylmethyl)oxamide
CID 3220032
2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-pyridin-4-ylacetamide
CID 3191114
3-(cyclohexylamino)-3-oxo-2-pyridin-3-ylpropanoic acid
CID 91593351

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]but-2-ynamide?
The IUPAC name of N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]but-2-ynamide (CID 166632953) is N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]but-2-ynamide.
What is the SMILES notation for N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]but-2-ynamide?
The canonical SMILES for N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]but-2-ynamide is CC#CC(=O)N(Cc1ccccc1)C(C(=O)NC1CCCCC1)c1cccnc1.
What is the InChIKey of N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]but-2-ynamide?
The InChIKey is UCOFBDHTRRRUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-2-10-22(28)27(18-19-11-5-3-6-12-19)23(20-13-9-16-25-17-20)24(29)26-21-14-7-4-8-15-21/h3,5-6,9,11-13,16-17,21,23H,4,7-8,14-15,18H2,1H3,(H,26,29).
What are the key properties of N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]but-2-ynamide?
N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]but-2-ynamide has a molecular weight of 389.50 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]but-2-ynamide is sourced from PubChem (CID 166632953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).