N-[(1R,2S)-2-(3-ethoxypropylcarbamoyl)cyclopentyl]pyridine-4-carboxamide

C17H25N3O3 — CID 91925626

IUPACN-[(1R,2S)-2-(3-ethoxypropylcarbamoyl)cyclopentyl]pyridine-4-carboxamide
SMILESCCOCCCNC(=O)[C@H]1CCC[C@H]1NC(=O)c1ccncc1
InChIInChI=1S/C17H25N3O3/c1-2-23-12-4-9-19-17(22)14-5-3-6-15(14)20-16(21)13-7-10-18-11-8-13/h7-8,10-11,14-15H,2-6,9,12H2,1H3,(H,19,22)(H,20,21)/t14-,15+/m0/s1
InChIKeyMJWKPLGOHSGLGK-LSDHHAIUSA-N
MW319.40 g/mol
LogP1.52
Rot. Bonds8

About N-[(1R,2S)-2-(3-ethoxypropylcarbamoyl)cyclopentyl]pyridine-4-carboxamide

N-[(1R,2S)-2-(3-ethoxypropylcarbamoyl)cyclopentyl]pyridine-4-carboxamide (PubChem CID 91925626) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is N-[(1R,2S)-2-(3-ethoxypropylcarbamoyl)cyclopentyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(3-ethoxypropylcarbamoyl)cyclopentyl]pyridine-4-carboxamide
PubChem CID91925626
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC NameN-[(1R,2S)-2-(3-ethoxypropylcarbamoyl)cyclopentyl]pyridine-4-carboxamide
SMILESCCOCCCNC(=O)[C@H]1CCC[C@H]1NC(=O)c1ccncc1
InChIInChI=1S/C17H25N3O3/c1-2-23-12-4-9-19-17(22)14-5-3-6-15(14)20-16(21)13-7-10-18-11-8-13/h7-8,10-11,14-15H,2-6,9,12H2,1H3,(H,19,22)(H,20,21)/t14-,15+/m0/s1
InChIKeyMJWKPLGOHSGLGK-LSDHHAIUSA-N
XLogP1.52
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(3-ethoxypropylcarbamoyl)cyclopentyl]pyridine-4-carboxamide?
The IUPAC name of N-[(1R,2S)-2-(3-ethoxypropylcarbamoyl)cyclopentyl]pyridine-4-carboxamide (CID 91925626) is N-[(1R,2S)-2-(3-ethoxypropylcarbamoyl)cyclopentyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-(3-ethoxypropylcarbamoyl)cyclopentyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-(3-ethoxypropylcarbamoyl)cyclopentyl]pyridine-4-carboxamide is CCOCCCNC(=O)[C@H]1CCC[C@H]1NC(=O)c1ccncc1.
What is the InChIKey of N-[(1R,2S)-2-(3-ethoxypropylcarbamoyl)cyclopentyl]pyridine-4-carboxamide?
The InChIKey is MJWKPLGOHSGLGK-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-2-23-12-4-9-19-17(22)14-5-3-6-15(14)20-16(21)13-7-10-18-11-8-13/h7-8,10-11,14-15H,2-6,9,12H2,1H3,(H,19,22)(H,20,21)/t14-,15+/m0/s1.
What are the key properties of N-[(1R,2S)-2-(3-ethoxypropylcarbamoyl)cyclopentyl]pyridine-4-carboxamide?
N-[(1R,2S)-2-(3-ethoxypropylcarbamoyl)cyclopentyl]pyridine-4-carboxamide has a molecular weight of 319.40 g/mol, XLogP of 1.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(3-ethoxypropylcarbamoyl)cyclopentyl]pyridine-4-carboxamide is sourced from PubChem (CID 91925626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).