(4-chloro-2-pyridinyl)-(2-cyclohexylpyrrolidin-1-yl)methanone

C16H21ClN2O — CID 61051101

IUPAC(4-chloro-2-pyridinyl)-(2-cyclohexylpyrrolidin-1-yl)methanone
SMILESO=C(c1cc(Cl)ccn1)N1CCCC1C1CCCCC1
InChIInChI=1S/C16H21ClN2O/c17-13-8-9-18-14(11-13)16(20)19-10-4-7-15(19)12-5-2-1-3-6-12/h8-9,11-12,15H,1-7,10H2
InChIKeyLCKHNQFGBWYWRK-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.92
Rot. Bonds2

About (4-chloro-2-pyridinyl)-(2-cyclohexylpyrrolidin-1-yl)methanone

(4-chloro-2-pyridinyl)-(2-cyclohexylpyrrolidin-1-yl)methanone (PubChem CID 61051101) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is (4-chloro-2-pyridinyl)-(2-cyclohexylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-chloro-2-pyridinyl)-(2-cyclohexylpyrrolidin-1-yl)methanone
PubChem CID61051101
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name(4-chloro-2-pyridinyl)-(2-cyclohexylpyrrolidin-1-yl)methanone
SMILESO=C(c1cc(Cl)ccn1)N1CCCC1C1CCCCC1
InChIInChI=1S/C16H21ClN2O/c17-13-8-9-18-14(11-13)16(20)19-10-4-7-15(19)12-5-2-1-3-6-12/h8-9,11-12,15H,1-7,10H2
InChIKeyLCKHNQFGBWYWRK-UHFFFAOYSA-N
XLogP3.92
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-chloropyridine-2-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61370686
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-hydrazinyl-2-pyridinyl)methanone
CID 65322440
N-[1-(4-chloropyridine-2-carbonyl)pyrrolidin-2-yl]formamide
CID 174663819
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(6-chloropyridazin-3-yl)methanone
CID 60859361
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(5-chloro-2-hydroxyphenyl)methanone
CID 43422698
(3R)-1-(4-chloropyridine-2-carbonyl)piperidine-3-carboxylic acid
CID 81118172
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(5-chloropyrazin-2-yl)methanone
CID 107257889
(2-cyclohexylpyrrolidin-1-yl)-(5,6-dichloro-3-pyridinyl)methanone
CID 61050917
(2-cyclopentylpyrrolidin-1-yl)-(2,6-dichloro-4-pyridinyl)methanone
CID 61072247
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(5-chloro-2-hydroxyphenyl)methanone
CID 65321114
(4-chloro-2-pyridinyl)-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 86849322
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl(pyridin-4-yl)methanone
CID 42892856

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-pyridinyl)-(2-cyclohexylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-chloro-2-pyridinyl)-(2-cyclohexylpyrrolidin-1-yl)methanone (CID 61051101) is (4-chloro-2-pyridinyl)-(2-cyclohexylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-chloro-2-pyridinyl)-(2-cyclohexylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-chloro-2-pyridinyl)-(2-cyclohexylpyrrolidin-1-yl)methanone is O=C(c1cc(Cl)ccn1)N1CCCC1C1CCCCC1.
What is the InChIKey of (4-chloro-2-pyridinyl)-(2-cyclohexylpyrrolidin-1-yl)methanone?
The InChIKey is LCKHNQFGBWYWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c17-13-8-9-18-14(11-13)16(20)19-10-4-7-15(19)12-5-2-1-3-6-12/h8-9,11-12,15H,1-7,10H2.
What are the key properties of (4-chloro-2-pyridinyl)-(2-cyclohexylpyrrolidin-1-yl)methanone?
(4-chloro-2-pyridinyl)-(2-cyclohexylpyrrolidin-1-yl)methanone has a molecular weight of 292.81 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-pyridinyl)-(2-cyclohexylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 61051101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).