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

C27H32N4O4 — CID 45227098

IUPACN-[1-(furan-2-yl)ethyl]-5-[4-(4-methylphenyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide
SMILESCc1ccc(N2CCN(C(=O)c3cn(C(C)C)cc(C(=O)NC(C)c4ccco4)c3=O)CC2)cc1
InChIInChI=1S/C27H32N4O4/c1-18(2)31-16-22(26(33)28-20(4)24-6-5-15-35-24)25(32)23(17-31)27(34)30-13-11-29(12-14-30)21-9-7-19(3)8-10-21/h5-10,15-18,20H,11-14H2,1-4H3,(H,28,33)
InChIKeyOEQDBFSFGZLGBI-UHFFFAOYSA-N
MW476.58 g/mol
LogP3.78
Rot. Bonds6

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

N-[1-(furan-2-yl)ethyl]-5-[4-(4-methylphenyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide (PubChem CID 45227098) has the molecular formula C27H32N4O4 and a molecular weight of 476.58 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-5-[4-(4-methylphenyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-5-[4-(4-methylphenyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide
PubChem CID45227098
Molecular FormulaC27H32N4O4
Molecular Weight476.58 g/mol
Exact Mass476.24
IUPAC NameN-[1-(furan-2-yl)ethyl]-5-[4-(4-methylphenyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide
SMILESCc1ccc(N2CCN(C(=O)c3cn(C(C)C)cc(C(=O)NC(C)c4ccco4)c3=O)CC2)cc1
InChIInChI=1S/C27H32N4O4/c1-18(2)31-16-22(26(33)28-20(4)24-6-5-15-35-24)25(32)23(17-31)27(34)30-13-11-29(12-14-30)21-9-7-19(3)8-10-21/h5-10,15-18,20H,11-14H2,1-4H3,(H,28,33)
InChIKeyOEQDBFSFGZLGBI-UHFFFAOYSA-N
XLogP3.78
TPSA87.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-N-[1-(furan-2-yl)ethyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 45250873
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
N-(cyclohexylmethyl)-5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 42345402
3-N-[(1S)-1-(furan-2-yl)ethyl]-1-(2-methylpropyl)-4-oxo-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 26324517
2-bromo-N-[1-(furan-2-yl)ethyl]-5-methylbenzamide
CID 80966287
5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 42169511
N-[(1S)-1-(furan-2-yl)ethyl]-4-(3-methoxyphenyl)piperazine-1-carboxamide
CID 94017976
N-cycloheptyl-5-[4-(6-methyl-2-pyridinyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 26361626
N-[(1S)-1-(furan-2-yl)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976314
3-N-methyl-3-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-5-N-[2,2,2-trifluoro-1-(furan-2-yl)ethyl]pyridine-3,5-dicarboxamide
CID 45239152
2-chloro-N-[1-(furan-2-yl)ethyl]benzamide
CID 18116836

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-5-[4-(4-methylphenyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-5-[4-(4-methylphenyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide (CID 45227098) is N-[1-(furan-2-yl)ethyl]-5-[4-(4-methylphenyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-5-[4-(4-methylphenyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-5-[4-(4-methylphenyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide is Cc1ccc(N2CCN(C(=O)c3cn(C(C)C)cc(C(=O)NC(C)c4ccco4)c3=O)CC2)cc1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-5-[4-(4-methylphenyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide?
The InChIKey is OEQDBFSFGZLGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4/c1-18(2)31-16-22(26(33)28-20(4)24-6-5-15-35-24)25(32)23(17-31)27(34)30-13-11-29(12-14-30)21-9-7-19(3)8-10-21/h5-10,15-18,20H,11-14H2,1-4H3,(H,28,33).
What are the key properties of N-[1-(furan-2-yl)ethyl]-5-[4-(4-methylphenyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide?
N-[1-(furan-2-yl)ethyl]-5-[4-(4-methylphenyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide has a molecular weight of 476.58 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-5-[4-(4-methylphenyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 45227098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).