3-chloro-5-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one

C14H15ClN4O2 — CID 124951550

IUPAC3-chloro-5-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1cnc([C@H]2CCN(C(=O)c3c[nH]c(=O)c(Cl)c3)C2)[nH]1
InChIInChI=1S/C14H15ClN4O2/c1-8-5-16-12(18-8)9-2-3-19(7-9)14(21)10-4-11(15)13(20)17-6-10/h4-6,9H,2-3,7H2,1H3,(H,16,18)(H,17,20)/t9-/m0/s1
InChIKeyDIOKRNKGQNOUIS-VIFPVBQESA-N
MW306.75 g/mol
LogP1.69
Rot. Bonds2

About 3-chloro-5-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one

3-chloro-5-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 124951550) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is 3-chloro-5-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-5-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID124951550
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Name3-chloro-5-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1cnc([C@H]2CCN(C(=O)c3c[nH]c(=O)c(Cl)c3)C2)[nH]1
InChIInChI=1S/C14H15ClN4O2/c1-8-5-16-12(18-8)9-2-3-19(7-9)14(21)10-4-11(15)13(20)17-6-10/h4-6,9H,2-3,7H2,1H3,(H,16,18)(H,17,20)/t9-/m0/s1
InChIKeyDIOKRNKGQNOUIS-VIFPVBQESA-N
XLogP1.69
TPSA81.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-3-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 124992825
5,6-dimethyl-3-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 124951395
[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 125000644
(3,5-difluorophenyl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 125011983
3-chloro-5-[3-(2-methylphenyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 70763427
5-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-3-chloro-1H-pyridin-2-one
CID 56908564
(2-chlorophenyl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 124949617
3-chloro-5-[(3S)-3-[(6-methyl-3-pyridinyl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 124939624
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124943487
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
CID 110104905
3-chloro-5-[(3S)-3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 97154594
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
CID 110104637

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 3-chloro-5-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one (CID 124951550) is 3-chloro-5-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-5-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-5-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one is Cc1cnc([C@H]2CCN(C(=O)c3c[nH]c(=O)c(Cl)c3)C2)[nH]1.
What is the InChIKey of 3-chloro-5-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is DIOKRNKGQNOUIS-VIFPVBQESA-N. The full InChI is InChI=1S/C14H15ClN4O2/c1-8-5-16-12(18-8)9-2-3-19(7-9)14(21)10-4-11(15)13(20)17-6-10/h4-6,9H,2-3,7H2,1H3,(H,16,18)(H,17,20)/t9-/m0/s1.
What are the key properties of 3-chloro-5-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
3-chloro-5-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 306.75 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 124951550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).