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

C19H29N3O4 — CID 91913037

IUPAC6-methoxy-N-[(1R,2S)-2-(3-propan-2-yloxypropylcarbamoyl)cyclopentyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)NCCCOC(C)C)cn1
InChIInChI=1S/C19H29N3O4/c1-13(2)26-11-5-10-20-19(24)15-6-4-7-16(15)22-18(23)14-8-9-17(25-3)21-12-14/h8-9,12-13,15-16H,4-7,10-11H2,1-3H3,(H,20,24)(H,22,23)/t15-,16+/m0/s1
InChIKeyMCYCRGYVXGWBAU-JKSUJKDBSA-N
MW363.46 g/mol
LogP1.92
Rot. Bonds9

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

6-methoxy-N-[(1R,2S)-2-(3-propan-2-yloxypropylcarbamoyl)cyclopentyl]pyridine-3-carboxamide (PubChem CID 91913037) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is 6-methoxy-N-[(1R,2S)-2-(3-propan-2-yloxypropylcarbamoyl)cyclopentyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[(1R,2S)-2-(3-propan-2-yloxypropylcarbamoyl)cyclopentyl]pyridine-3-carboxamide
PubChem CID91913037
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Name6-methoxy-N-[(1R,2S)-2-(3-propan-2-yloxypropylcarbamoyl)cyclopentyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)NCCCOC(C)C)cn1
InChIInChI=1S/C19H29N3O4/c1-13(2)26-11-5-10-20-19(24)15-6-4-7-16(15)22-18(23)14-8-9-17(25-3)21-12-14/h8-9,12-13,15-16H,4-7,10-11H2,1-3H3,(H,20,24)(H,22,23)/t15-,16+/m0/s1
InChIKeyMCYCRGYVXGWBAU-JKSUJKDBSA-N
XLogP1.92
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 51.92
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-methoxypropylcarbamoyl)cyclopentyl]pyridine-3-carboxamide
CID 91925645
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
trans-(1S,2S)-2-(3-propan-2-yloxypropylcarbamoyl)cyclohexane-1-carboxylate
CID 7316354
trans-(1S,2S)-2-(3-propan-2-yloxypropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 7316355
6-butoxy-N-cycloheptylpyridine-3-carboxamide
CID 58368248
N-[4-(cyclopropylcarbamoyl)phenyl]-6-methoxypyridine-3-carboxamide
CID 51300111
6-methoxy-N-[(3R,4R)-1-methyl-4-(methylcarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 110107610
cis-(1S,2R)-2-N-tert-butyl-1-N-(3-propan-2-yloxypropyl)cyclohexane-1,2-dicarboxamide
CID 46994442
6-methoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-3-carboxamide
CID 91793620
6-methoxy-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]pyridine-3-carboxamide
CID 68791499

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(1R,2S)-2-(3-propan-2-yloxypropylcarbamoyl)cyclopentyl]pyridine-3-carboxamide?
The IUPAC name of 6-methoxy-N-[(1R,2S)-2-(3-propan-2-yloxypropylcarbamoyl)cyclopentyl]pyridine-3-carboxamide (CID 91913037) is 6-methoxy-N-[(1R,2S)-2-(3-propan-2-yloxypropylcarbamoyl)cyclopentyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-[(1R,2S)-2-(3-propan-2-yloxypropylcarbamoyl)cyclopentyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methoxy-N-[(1R,2S)-2-(3-propan-2-yloxypropylcarbamoyl)cyclopentyl]pyridine-3-carboxamide is COc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)NCCCOC(C)C)cn1.
What is the InChIKey of 6-methoxy-N-[(1R,2S)-2-(3-propan-2-yloxypropylcarbamoyl)cyclopentyl]pyridine-3-carboxamide?
The InChIKey is MCYCRGYVXGWBAU-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-13(2)26-11-5-10-20-19(24)15-6-4-7-16(15)22-18(23)14-8-9-17(25-3)21-12-14/h8-9,12-13,15-16H,4-7,10-11H2,1-3H3,(H,20,24)(H,22,23)/t15-,16+/m0/s1.
What are the key properties of 6-methoxy-N-[(1R,2S)-2-(3-propan-2-yloxypropylcarbamoyl)cyclopentyl]pyridine-3-carboxamide?
6-methoxy-N-[(1R,2S)-2-(3-propan-2-yloxypropylcarbamoyl)cyclopentyl]pyridine-3-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 1.92, 9 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-propan-2-yloxypropylcarbamoyl)cyclopentyl]pyridine-3-carboxamide is sourced from PubChem (CID 91913037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).