N-cyclohexyl-1-cyclopropyl-5-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-oxopyridine-3-carboxamide

C28H36N4O4 — CID 42432926

IUPACN-cyclohexyl-1-cyclopropyl-5-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-oxopyridine-3-carboxamide
SMILESCCOc1ccccc1N1CCN(C(=O)c2cn(C3CC3)cc(C(=O)NC3CCCCC3)c2=O)CC1
InChIInChI=1S/C28H36N4O4/c1-2-36-25-11-7-6-10-24(25)30-14-16-31(17-15-30)28(35)23-19-32(21-12-13-21)18-22(26(23)33)27(34)29-20-8-4-3-5-9-20/h6-7,10-11,18-21H,2-5,8-9,12-17H2,1H3,(H,29,34)
InChIKeyIRZIPYLWDLADRR-UHFFFAOYSA-N
MW492.62 g/mol
LogP3.61
Rot. Bonds7

About N-cyclohexyl-1-cyclopropyl-5-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-oxopyridine-3-carboxamide

N-cyclohexyl-1-cyclopropyl-5-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-oxopyridine-3-carboxamide (PubChem CID 42432926) has the molecular formula C28H36N4O4 and a molecular weight of 492.62 g/mol. Its IUPAC name is N-cyclohexyl-1-cyclopropyl-5-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-cyclopropyl-5-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-oxopyridine-3-carboxamide
PubChem CID42432926
Molecular FormulaC28H36N4O4
Molecular Weight492.62 g/mol
Exact Mass492.27
IUPAC NameN-cyclohexyl-1-cyclopropyl-5-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-oxopyridine-3-carboxamide
SMILESCCOc1ccccc1N1CCN(C(=O)c2cn(C3CC3)cc(C(=O)NC3CCCCC3)c2=O)CC1
InChIInChI=1S/C28H36N4O4/c1-2-36-25-11-7-6-10-24(25)30-14-16-31(17-15-30)28(35)23-19-32(21-12-13-21)18-22(26(23)33)27(34)29-20-8-4-3-5-9-20/h6-7,10-11,18-21H,2-5,8-9,12-17H2,1H3,(H,29,34)
InChIKeyIRZIPYLWDLADRR-UHFFFAOYSA-N
XLogP3.61
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 42499907
ethyl (3S)-1-[5-(cycloheptylcarbamoyl)-1-cyclopropyl-4-oxopyridine-3-carbonyl]piperidine-3-carboxylate
CID 42247794
N-[1-[2-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]piperidin-4-yl]cyclopropanecarboxamide
CID 24719026
N-cyclopentyl-4-(2-ethoxyphenyl)piperazine-1-carbothioamide
CID 19655264
N-cycloheptyl-4-oxo-5-(4-phenylpiperazine-1-carbonyl)-1-propan-2-ylpyridine-3-carboxamide
CID 42166830
(5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 87054456
5-N-cycloheptyl-1-cyclopropyl-3-N-[(2R)-2-hydroxy-2-phenylethyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
CID 26343862
(2,4-dimethylphenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 9415517
[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone
CID 35514407
N-[3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]naphthalen-2-yl]cyclopropanecarboxamide
CID 24663377
5-(azepane-1-carbonyl)-N-cyclooctyl-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 26278147
N-cycloheptyl-5-[4-(6-methyl-2-pyridinyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 26361626

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-cyclopropyl-5-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-oxopyridine-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-cyclopropyl-5-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-oxopyridine-3-carboxamide (CID 42432926) is N-cyclohexyl-1-cyclopropyl-5-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-oxopyridine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-cyclopropyl-5-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-oxopyridine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-cyclopropyl-5-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-oxopyridine-3-carboxamide is CCOc1ccccc1N1CCN(C(=O)c2cn(C3CC3)cc(C(=O)NC3CCCCC3)c2=O)CC1.
What is the InChIKey of N-cyclohexyl-1-cyclopropyl-5-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-oxopyridine-3-carboxamide?
The InChIKey is IRZIPYLWDLADRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O4/c1-2-36-25-11-7-6-10-24(25)30-14-16-31(17-15-30)28(35)23-19-32(21-12-13-21)18-22(26(23)33)27(34)29-20-8-4-3-5-9-20/h6-7,10-11,18-21H,2-5,8-9,12-17H2,1H3,(H,29,34).
What are the key properties of N-cyclohexyl-1-cyclopropyl-5-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-oxopyridine-3-carboxamide?
N-cyclohexyl-1-cyclopropyl-5-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-oxopyridine-3-carboxamide has a molecular weight of 492.62 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-cyclopropyl-5-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 42432926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).