5-[2-[1-[(1R,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperidin-4-yl]ethyl]-N,6-dimethylpyridine-2-carboxamide

C27H38N4O2 — CID 176560723

IUPAC5-[2-[1-[(1R,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperidin-4-yl]ethyl]-N,6-dimethylpyridine-2-carboxamide
SMILESCCc1ccc([C@@H]2CC[C@@H](N3CCC(CCc4ccc(C(=O)NC)nc4C)CC3)C2)[nH]c1=O
InChIInChI=1S/C27H38N4O2/c1-4-20-8-11-24(30-26(20)32)22-7-10-23(17-22)31-15-13-19(14-16-31)5-6-21-9-12-25(27(33)28-3)29-18(21)2/h8-9,11-12,19,22-23H,4-7,10,13-17H2,1-3H3,(H,28,33)(H,30,32)/t22-,23-/m1/s1
InChIKeyHRZQDPSXHISZKW-DHIUTWEWSA-N
MW450.63 g/mol
LogP3.98
Rot. Bonds7

About 5-[2-[1-[(1R,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperidin-4-yl]ethyl]-N,6-dimethylpyridine-2-carboxamide

5-[2-[1-[(1R,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperidin-4-yl]ethyl]-N,6-dimethylpyridine-2-carboxamide (PubChem CID 176560723) has the molecular formula C27H38N4O2 and a molecular weight of 450.63 g/mol. Its IUPAC name is 5-[2-[1-[(1R,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperidin-4-yl]ethyl]-N,6-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-[1-[(1R,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperidin-4-yl]ethyl]-N,6-dimethylpyridine-2-carboxamide
PubChem CID176560723
Molecular FormulaC27H38N4O2
Molecular Weight450.63 g/mol
Exact Mass450.30
IUPAC Name5-[2-[1-[(1R,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperidin-4-yl]ethyl]-N,6-dimethylpyridine-2-carboxamide
SMILESCCc1ccc([C@@H]2CC[C@@H](N3CCC(CCc4ccc(C(=O)NC)nc4C)CC3)C2)[nH]c1=O
InChIInChI=1S/C27H38N4O2/c1-4-20-8-11-24(30-26(20)32)22-7-10-23(17-22)31-15-13-19(14-16-31)5-6-21-9-12-25(27(33)28-3)29-18(21)2/h8-9,11-12,19,22-23H,4-7,10,13-17H2,1-3H3,(H,28,33)(H,30,32)/t22-,23-/m1/s1
InChIKeyHRZQDPSXHISZKW-DHIUTWEWSA-N
XLogP3.98
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.63
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[1-[(1R,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperidin-4-yl]ethyl]-N,6-dimethylpyridine-2-carboxamide?
The IUPAC name of 5-[2-[1-[(1R,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperidin-4-yl]ethyl]-N,6-dimethylpyridine-2-carboxamide (CID 176560723) is 5-[2-[1-[(1R,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperidin-4-yl]ethyl]-N,6-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 5-[2-[1-[(1R,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperidin-4-yl]ethyl]-N,6-dimethylpyridine-2-carboxamide?
The canonical SMILES for 5-[2-[1-[(1R,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperidin-4-yl]ethyl]-N,6-dimethylpyridine-2-carboxamide is CCc1ccc([C@@H]2CC[C@@H](N3CCC(CCc4ccc(C(=O)NC)nc4C)CC3)C2)[nH]c1=O.
What is the InChIKey of 5-[2-[1-[(1R,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperidin-4-yl]ethyl]-N,6-dimethylpyridine-2-carboxamide?
The InChIKey is HRZQDPSXHISZKW-DHIUTWEWSA-N. The full InChI is InChI=1S/C27H38N4O2/c1-4-20-8-11-24(30-26(20)32)22-7-10-23(17-22)31-15-13-19(14-16-31)5-6-21-9-12-25(27(33)28-3)29-18(21)2/h8-9,11-12,19,22-23H,4-7,10,13-17H2,1-3H3,(H,28,33)(H,30,32)/t22-,23-/m1/s1.
What are the key properties of 5-[2-[1-[(1R,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperidin-4-yl]ethyl]-N,6-dimethylpyridine-2-carboxamide?
5-[2-[1-[(1R,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperidin-4-yl]ethyl]-N,6-dimethylpyridine-2-carboxamide has a molecular weight of 450.63 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[1-[(1R,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperidin-4-yl]ethyl]-N,6-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 176560723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).