3-(cyclopropylmethyl)-1-[(3S,4S)-4-methyl-1-pyridin-2-ylpyrrolidine-3-carbonyl]imidazolidin-4-one

C18H24N4O2 — CID 128987415

IUPAC3-(cyclopropylmethyl)-1-[(3S,4S)-4-methyl-1-pyridin-2-ylpyrrolidine-3-carbonyl]imidazolidin-4-one
SMILESC[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N1CC(=O)N(CC2CC2)C1
InChIInChI=1S/C18H24N4O2/c1-13-8-20(16-4-2-3-7-19-16)10-15(13)18(24)22-11-17(23)21(12-22)9-14-5-6-14/h2-4,7,13-15H,5-6,8-12H2,1H3/t13-,15-/m1/s1
InChIKeyDMWIYIFVZASYOI-UKRRQHHQSA-N
MW328.42 g/mol
LogP1.19
Rot. Bonds4

About 3-(cyclopropylmethyl)-1-[(3S,4S)-4-methyl-1-pyridin-2-ylpyrrolidine-3-carbonyl]imidazolidin-4-one

3-(cyclopropylmethyl)-1-[(3S,4S)-4-methyl-1-pyridin-2-ylpyrrolidine-3-carbonyl]imidazolidin-4-one (PubChem CID 128987415) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-1-[(3S,4S)-4-methyl-1-pyridin-2-ylpyrrolidine-3-carbonyl]imidazolidin-4-one.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-1-[(3S,4S)-4-methyl-1-pyridin-2-ylpyrrolidine-3-carbonyl]imidazolidin-4-one
PubChem CID128987415
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name3-(cyclopropylmethyl)-1-[(3S,4S)-4-methyl-1-pyridin-2-ylpyrrolidine-3-carbonyl]imidazolidin-4-one
SMILESC[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N1CC(=O)N(CC2CC2)C1
InChIInChI=1S/C18H24N4O2/c1-13-8-20(16-4-2-3-7-19-16)10-15(13)18(24)22-11-17(23)21(12-22)9-14-5-6-14/h2-4,7,13-15H,5-6,8-12H2,1H3/t13-,15-/m1/s1
InChIKeyDMWIYIFVZASYOI-UKRRQHHQSA-N
XLogP1.19
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(cyclopropylmethyl)-1-[(3S,4S)-4-methyl-1-pyridin-2-ylpyrrolidine-3-carbonyl]imidazolidin-4-one with MolForge

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Related Compounds

[(3S,4S)-4-methyl-1-pyridin-2-ylpyrrolidin-3-yl]-(4,6,7,8-tetrahydro-1H-pyrazolo[4,5-c]azepin-5-yl)methanone
CID 139020528
(3S,4S)-4-methyl-N-(4-methyl-3-pyridinyl)-1-pyridin-2-ylpyrrolidine-3-carboxamide
CID 128977351
2,3-dihydropyrrolo[2,3-c]pyridin-1-yl-[(3S,4S)-4-methyl-1-pyridin-2-ylpyrrolidin-3-yl]methanone
CID 167893739
(3S,4S)-N-[2-(dimethylamino)-3-pyridinyl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide
CID 154798977
(3S,4S)-N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide
CID 128977916
(3S,4S)-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1-pyridin-2-ylpyrrolidine-3-carboxamide
CID 128987227
(6S)-6-(cyclopropylmethoxy)-1-[(3-methoxyphenyl)methyl]-4-[(3S)-1-pyridin-2-ylpiperidine-3-carbonyl]-1,4-diazepan-2-one
CID 26139831
2-(1-pyridin-2-ylpyrrolidin-3-yl)acetic acid
CID 66880578
tert-butyl 2-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 74946314
(3S,4S)-N-[1-(2-cyanoethyl)pyrazol-3-yl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide
CID 128984281
[(1S,2R)-2-(furan-2-yl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 95588003
(3S,4S)-4-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1-pyridin-2-ylpyrrolidine-3-carboxamide
CID 136581855

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-1-[(3S,4S)-4-methyl-1-pyridin-2-ylpyrrolidine-3-carbonyl]imidazolidin-4-one?
The IUPAC name of 3-(cyclopropylmethyl)-1-[(3S,4S)-4-methyl-1-pyridin-2-ylpyrrolidine-3-carbonyl]imidazolidin-4-one (CID 128987415) is 3-(cyclopropylmethyl)-1-[(3S,4S)-4-methyl-1-pyridin-2-ylpyrrolidine-3-carbonyl]imidazolidin-4-one.
What is the SMILES notation for 3-(cyclopropylmethyl)-1-[(3S,4S)-4-methyl-1-pyridin-2-ylpyrrolidine-3-carbonyl]imidazolidin-4-one?
The canonical SMILES for 3-(cyclopropylmethyl)-1-[(3S,4S)-4-methyl-1-pyridin-2-ylpyrrolidine-3-carbonyl]imidazolidin-4-one is C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N1CC(=O)N(CC2CC2)C1.
What is the InChIKey of 3-(cyclopropylmethyl)-1-[(3S,4S)-4-methyl-1-pyridin-2-ylpyrrolidine-3-carbonyl]imidazolidin-4-one?
The InChIKey is DMWIYIFVZASYOI-UKRRQHHQSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-8-20(16-4-2-3-7-19-16)10-15(13)18(24)22-11-17(23)21(12-22)9-14-5-6-14/h2-4,7,13-15H,5-6,8-12H2,1H3/t13-,15-/m1/s1.
What are the key properties of 3-(cyclopropylmethyl)-1-[(3S,4S)-4-methyl-1-pyridin-2-ylpyrrolidine-3-carbonyl]imidazolidin-4-one?
3-(cyclopropylmethyl)-1-[(3S,4S)-4-methyl-1-pyridin-2-ylpyrrolidine-3-carbonyl]imidazolidin-4-one has a molecular weight of 328.42 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-1-[(3S,4S)-4-methyl-1-pyridin-2-ylpyrrolidine-3-carbonyl]imidazolidin-4-one is sourced from PubChem (CID 128987415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).