N-(cyclohexylmethyl)-5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide

C26H34N4O5 — CID 42345402

IUPACN-(cyclohexylmethyl)-5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)n1cc(C(=O)NCC2CCCCC2)c(=O)c(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1
InChIInChI=1S/C26H34N4O5/c1-18(2)30-16-20(24(32)27-15-19-7-4-3-5-8-19)23(31)21(17-30)25(33)28-10-12-29(13-11-28)26(34)22-9-6-14-35-22/h6,9,14,16-19H,3-5,7-8,10-13,15H2,1-2H3,(H,27,32)
InChIKeyMAHORMJCTAVJRA-UHFFFAOYSA-N
MW482.58 g/mol
LogP2.93
Rot. Bonds6

About N-(cyclohexylmethyl)-5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide

N-(cyclohexylmethyl)-5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide (PubChem CID 42345402) has the molecular formula C26H34N4O5 and a molecular weight of 482.58 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide
PubChem CID42345402
Molecular FormulaC26H34N4O5
Molecular Weight482.58 g/mol
Exact Mass482.25
IUPAC NameN-(cyclohexylmethyl)-5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)n1cc(C(=O)NCC2CCCCC2)c(=O)c(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1
InChIInChI=1S/C26H34N4O5/c1-18(2)30-16-20(24(32)27-15-19-7-4-3-5-8-19)23(31)21(17-30)25(33)28-10-12-29(13-11-28)26(34)22-9-6-14-35-22/h6,9,14,16-19H,3-5,7-8,10-13,15H2,1-2H3,(H,27,32)
InChIKeyMAHORMJCTAVJRA-UHFFFAOYSA-N
XLogP2.93
TPSA104.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(cyclohexylmethyl)-5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide with MolForge

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Related Compounds

5-N-(cyclohexylmethyl)-3-N-methyl-4-oxo-3-N-(2-phenylethyl)-1-propan-2-ylpyridine-3,5-dicarboxamide
CID 26345673
N-benzyl-4-oxo-5-(4-phenylpiperazine-1-carbonyl)-1-propan-2-ylpyridine-3-carboxamide
CID 42277870
N-cycloheptyl-4-oxo-5-(4-phenylpiperazine-1-carbonyl)-1-propan-2-ylpyridine-3-carboxamide
CID 42166830
(2R)-N-(cyclopropylmethyl)-4-(furan-2-carbonyl)-2-methylpiperazine-1-carboxamide
CID 167530296
lithium (2S)-3-cyclohexyl-2-[[4-(furan-2-carbonyl)piperazine-1-carbonyl]amino]propanoate
CID 23675499
methyl (2R)-1-[5-(benzylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate
CID 25365815
N-[[1-(furan-2-carbonyl)azepan-4-yl]methyl]-6-methyl-4-oxo-1H-pyridazine-3-carboxamide
CID 167811798
5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 42169511
1-butan-2-yl-N-(furan-2-ylmethyl)-4-oxo-5-(4-phenylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 45238070
N-cycloheptyl-5-[4-(6-methyl-2-pyridinyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 26361626
2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51305621
N-(2-cyclohexyl-2-hydroxyethyl)-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
CID 119130501

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide (CID 42345402) is N-(cyclohexylmethyl)-5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide is CC(C)n1cc(C(=O)NCC2CCCCC2)c(=O)c(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1.
What is the InChIKey of N-(cyclohexylmethyl)-5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide?
The InChIKey is MAHORMJCTAVJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O5/c1-18(2)30-16-20(24(32)27-15-19-7-4-3-5-8-19)23(31)21(17-30)25(33)28-10-12-29(13-11-28)26(34)22-9-6-14-35-22/h6,9,14,16-19H,3-5,7-8,10-13,15H2,1-2H3,(H,27,32).
What are the key properties of N-(cyclohexylmethyl)-5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide?
N-(cyclohexylmethyl)-5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide has a molecular weight of 482.58 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 42345402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).