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

C16H23N3O2 — CID 91925634

IUPACN-[(1R,2S)-2-(diethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide
SMILESCCN(CC)C(=O)[C@H]1CCC[C@H]1NC(=O)c1ccncc1
InChIInChI=1S/C16H23N3O2/c1-3-19(4-2)16(21)13-6-5-7-14(13)18-15(20)12-8-10-17-11-9-12/h8-11,13-14H,3-7H2,1-2H3,(H,18,20)/t13-,14+/m0/s1
InChIKeyDCQDBZBAAZKBKX-UONOGXRCSA-N
MW289.38 g/mol
LogP1.85
Rot. Bonds5

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

N-[(1R,2S)-2-(diethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide (PubChem CID 91925634) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[(1R,2S)-2-(diethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(diethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide
PubChem CID91925634
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[(1R,2S)-2-(diethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide
SMILESCCN(CC)C(=O)[C@H]1CCC[C@H]1NC(=O)c1ccncc1
InChIInChI=1S/C16H23N3O2/c1-3-19(4-2)16(21)13-6-5-7-14(13)18-15(20)12-8-10-17-11-9-12/h8-11,13-14H,3-7H2,1-2H3,(H,18,20)/t13-,14+/m0/s1
InChIKeyDCQDBZBAAZKBKX-UONOGXRCSA-N
XLogP1.85
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(diethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide?
The IUPAC name of N-[(1R,2S)-2-(diethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide (CID 91925634) is N-[(1R,2S)-2-(diethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-(diethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-(diethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide is CCN(CC)C(=O)[C@H]1CCC[C@H]1NC(=O)c1ccncc1.
What is the InChIKey of N-[(1R,2S)-2-(diethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide?
The InChIKey is DCQDBZBAAZKBKX-UONOGXRCSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-19(4-2)16(21)13-6-5-7-14(13)18-15(20)12-8-10-17-11-9-12/h8-11,13-14H,3-7H2,1-2H3,(H,18,20)/t13-,14+/m0/s1.
What are the key properties of N-[(1R,2S)-2-(diethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide?
N-[(1R,2S)-2-(diethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(diethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide is sourced from PubChem (CID 91925634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).