6-chloro-5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide

C23H30ClN5O2 — CID 176560429

IUPAC6-chloro-5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCCc1ccc([C@@H]2CC[C@H](N3CCN(c4ccc(C(=O)NC)nc4Cl)CC3)C2)[nH]c1=O
InChIInChI=1S/C23H30ClN5O2/c1-3-15-5-7-18(27-22(15)30)16-4-6-17(14-16)28-10-12-29(13-11-28)20-9-8-19(23(31)25-2)26-21(20)24/h5,7-9,16-17H,3-4,6,10-14H2,1-2H3,(H,25,31)(H,27,30)/t16-,17+/m1/s1
InChIKeySKHYGHIQTIQHKH-SJORKVTESA-N
MW443.98 g/mol
LogP2.80
Rot. Bonds5

About 6-chloro-5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide

6-chloro-5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide (PubChem CID 176560429) has the molecular formula C23H30ClN5O2 and a molecular weight of 443.98 g/mol. Its IUPAC name is 6-chloro-5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
PubChem CID176560429
Molecular FormulaC23H30ClN5O2
Molecular Weight443.98 g/mol
Exact Mass443.21
IUPAC Name6-chloro-5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCCc1ccc([C@@H]2CC[C@H](N3CCN(c4ccc(C(=O)NC)nc4Cl)CC3)C2)[nH]c1=O
InChIInChI=1S/C23H30ClN5O2/c1-3-15-5-7-18(27-22(15)30)16-4-6-17(14-16)28-10-12-29(13-11-28)20-9-8-19(23(31)25-2)26-21(20)24/h5,7-9,16-17H,3-4,6,10-14H2,1-2H3,(H,25,31)(H,27,30)/t16-,17+/m1/s1
InChIKeySKHYGHIQTIQHKH-SJORKVTESA-N
XLogP2.80
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.98
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide
CID 176560384
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
5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-(2-fluoroethyl)pyridine-2-carboxamide
CID 176560476
5-[4-[3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide
CID 176560553
5-[4-[1-(5-ethyl-6-oxo-1H-pyridin-2-yl)piperidin-4-yl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 176560575
5-[4-[3-(8-fluoro-1-oxo-2H-isoquinolin-3-yl)cyclopentyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide
CID 176964668
6-fluoro-5-[4-[3-(8-fluoro-1-oxo-2H-isoquinolin-3-yl)cyclopentyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 176964503
5-[4-[3-(5-chloro-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide
CID 176560622
3-ethyl-6-[(1R,3S)-3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]cyclopentyl]-1H-pyridin-2-one
CID 176560435
6-chloro-5-[4-[(2,5-dimethyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 162524577
6-chloro-5-[4-[(3-ethyl-2-oxo-1H-1,6-naphthyridin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 155586931
6-fluoro-N-methyl-5-[4-[3-(6-oxo-5-propyl-1H-pyridin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide
CID 169148659

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 6-chloro-5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide (CID 176560429) is 6-chloro-5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 6-chloro-5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide is CCc1ccc([C@@H]2CC[C@H](N3CCN(c4ccc(C(=O)NC)nc4Cl)CC3)C2)[nH]c1=O.
What is the InChIKey of 6-chloro-5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is SKHYGHIQTIQHKH-SJORKVTESA-N. The full InChI is InChI=1S/C23H30ClN5O2/c1-3-15-5-7-18(27-22(15)30)16-4-6-17(14-16)28-10-12-29(13-11-28)20-9-8-19(23(31)25-2)26-21(20)24/h5,7-9,16-17H,3-4,6,10-14H2,1-2H3,(H,25,31)(H,27,30)/t16-,17+/m1/s1.
What are the key properties of 6-chloro-5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
6-chloro-5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 443.98 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 176560429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).