6-methoxy-N-[(1R,2S)-2-(3-methoxypropylcarbamoyl)cyclopentyl]pyridine-3-carboxamide

C17H25N3O4 — CID 91925645

IUPAC6-methoxy-N-[(1R,2S)-2-(3-methoxypropylcarbamoyl)cyclopentyl]pyridine-3-carboxamide
SMILESCOCCCNC(=O)[C@H]1CCC[C@H]1NC(=O)c1ccc(OC)nc1
InChIInChI=1S/C17H25N3O4/c1-23-10-4-9-18-17(22)13-5-3-6-14(13)20-16(21)12-7-8-15(24-2)19-11-12/h7-8,11,13-14H,3-6,9-10H2,1-2H3,(H,18,22)(H,20,21)/t13-,14+/m0/s1
InChIKeyZOLILWGBSVKTKQ-UONOGXRCSA-N
MW335.40 g/mol
LogP1.14
Rot. Bonds8

About 6-methoxy-N-[(1R,2S)-2-(3-methoxypropylcarbamoyl)cyclopentyl]pyridine-3-carboxamide

6-methoxy-N-[(1R,2S)-2-(3-methoxypropylcarbamoyl)cyclopentyl]pyridine-3-carboxamide (PubChem CID 91925645) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 6-methoxy-N-[(1R,2S)-2-(3-methoxypropylcarbamoyl)cyclopentyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[(1R,2S)-2-(3-methoxypropylcarbamoyl)cyclopentyl]pyridine-3-carboxamide
PubChem CID91925645
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name6-methoxy-N-[(1R,2S)-2-(3-methoxypropylcarbamoyl)cyclopentyl]pyridine-3-carboxamide
SMILESCOCCCNC(=O)[C@H]1CCC[C@H]1NC(=O)c1ccc(OC)nc1
InChIInChI=1S/C17H25N3O4/c1-23-10-4-9-18-17(22)13-5-3-6-14(13)20-16(21)12-7-8-15(24-2)19-11-12/h7-8,11,13-14H,3-6,9-10H2,1-2H3,(H,18,22)(H,20,21)/t13-,14+/m0/s1
InChIKeyZOLILWGBSVKTKQ-UONOGXRCSA-N
XLogP1.14
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-N-[(1R,2S)-2-(3-propan-2-yloxypropylcarbamoyl)cyclopentyl]pyridine-3-carboxamide
CID 91913037
N-[2-(hydroxymethyl)cyclopentyl]-6-methoxypyridine-3-carboxamide
CID 113259274
6-methoxy-N-[(1R,2S)-2-(4-propan-2-ylpiperazine-1-carbonyl)cyclopentyl]pyridine-3-carboxamide
CID 91912962
N-[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopentyl]-6-methoxypyridine-3-carboxamide
CID 156611156
6-butoxy-N-cycloheptylpyridine-3-carboxamide
CID 58368248
6-(cycloheptylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153322
6-methoxy-N-[(3R,4R)-1-methyl-4-(methylcarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 110107610
N-[4-(cyclopropylcarbamoyl)phenyl]-6-methoxypyridine-3-carboxamide
CID 51300111
6-methoxy-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]pyridine-3-carboxamide
CID 68791499
6-methoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-3-carboxamide
CID 91793620
N-[(1R,2S)-2-[(4-methoxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide
CID 91913019
6-methoxy-N-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 125169256

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(1R,2S)-2-(3-methoxypropylcarbamoyl)cyclopentyl]pyridine-3-carboxamide?
The IUPAC name of 6-methoxy-N-[(1R,2S)-2-(3-methoxypropylcarbamoyl)cyclopentyl]pyridine-3-carboxamide (CID 91925645) is 6-methoxy-N-[(1R,2S)-2-(3-methoxypropylcarbamoyl)cyclopentyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-[(1R,2S)-2-(3-methoxypropylcarbamoyl)cyclopentyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methoxy-N-[(1R,2S)-2-(3-methoxypropylcarbamoyl)cyclopentyl]pyridine-3-carboxamide is COCCCNC(=O)[C@H]1CCC[C@H]1NC(=O)c1ccc(OC)nc1.
What is the InChIKey of 6-methoxy-N-[(1R,2S)-2-(3-methoxypropylcarbamoyl)cyclopentyl]pyridine-3-carboxamide?
The InChIKey is ZOLILWGBSVKTKQ-UONOGXRCSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-23-10-4-9-18-17(22)13-5-3-6-14(13)20-16(21)12-7-8-15(24-2)19-11-12/h7-8,11,13-14H,3-6,9-10H2,1-2H3,(H,18,22)(H,20,21)/t13-,14+/m0/s1.
What are the key properties of 6-methoxy-N-[(1R,2S)-2-(3-methoxypropylcarbamoyl)cyclopentyl]pyridine-3-carboxamide?
6-methoxy-N-[(1R,2S)-2-(3-methoxypropylcarbamoyl)cyclopentyl]pyridine-3-carboxamide has a molecular weight of 335.40 g/mol, XLogP of 1.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(1R,2S)-2-(3-methoxypropylcarbamoyl)cyclopentyl]pyridine-3-carboxamide is sourced from PubChem (CID 91925645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).