N-cyclopentyl-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide

C17H22N4O3 — CID 109080701

IUPACN-cyclopentyl-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide
SMILESO=CN1CCN(C(=O)c2cc(C(=O)NC3CCCC3)ccn2)CC1
InChIInChI=1S/C17H22N4O3/c22-12-20-7-9-21(10-8-20)17(24)15-11-13(5-6-18-15)16(23)19-14-3-1-2-4-14/h5-6,11-12,14H,1-4,7-10H2,(H,19,23)
InChIKeyGSVMVNJEJGQNCW-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.67
Rot. Bonds4

About N-cyclopentyl-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide

N-cyclopentyl-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide (PubChem CID 109080701) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-cyclopentyl-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide
PubChem CID109080701
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-cyclopentyl-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide
SMILESO=CN1CCN(C(=O)c2cc(C(=O)NC3CCCC3)ccn2)CC1
InChIInChI=1S/C17H22N4O3/c22-12-20-7-9-21(10-8-20)17(24)15-11-13(5-6-18-15)16(23)19-14-3-1-2-4-14/h5-6,11-12,14H,1-4,7-10H2,(H,19,23)
InChIKeyGSVMVNJEJGQNCW-UHFFFAOYSA-N
XLogP0.67
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109078421
N-cyclopropyl-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109078616
2-(4-acetylpiperazine-1-carbonyl)-N-cyclohexylpyridine-4-carboxamide
CID 109081367
N-cyclopentyl-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109080690
2-(4-formylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-4-carboxamide
CID 109078029
N-cyclohexyl-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-4-carboxamide
CID 109081387
4-[4-(cyclopropylamino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109201896
N-cyclohexyl-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080315
N-(4-acetylphenyl)-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084830
2-(4-formylpiperazine-1-carbonyl)-N-(3-methylphenyl)pyridine-4-carboxamide
CID 109084786
2-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)pyridine-4-carboxamide
CID 109084801
2-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 109084818

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide?
The IUPAC name of N-cyclopentyl-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide (CID 109080701) is N-cyclopentyl-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide is O=CN1CCN(C(=O)c2cc(C(=O)NC3CCCC3)ccn2)CC1.
What is the InChIKey of N-cyclopentyl-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide?
The InChIKey is GSVMVNJEJGQNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c22-12-20-7-9-21(10-8-20)17(24)15-11-13(5-6-18-15)16(23)19-14-3-1-2-4-14/h5-6,11-12,14H,1-4,7-10H2,(H,19,23).
What are the key properties of N-cyclopentyl-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide?
N-cyclopentyl-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide is sourced from PubChem (CID 109080701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).