1-[3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one

C15H21N3O2 — CID 72887547

IUPAC1-[3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one
SMILESN[C@H]1CN(C(=O)CCn2ccccc2=O)C[C@@H]1C1CC1
InChIInChI=1S/C15H21N3O2/c16-13-10-18(9-12(13)11-4-5-11)15(20)6-8-17-7-2-1-3-14(17)19/h1-3,7,11-13H,4-6,8-10,16H2/t12-,13+/m1/s1
InChIKeyZCWIQFRQIGSSIE-OLZOCXBDSA-N
MW275.35 g/mol
LogP0.43
Rot. Bonds4

About 1-[3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one

1-[3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one (PubChem CID 72887547) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one.

Molecular Properties

Compound Name1-[3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one
PubChem CID72887547
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-[3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one
SMILESN[C@H]1CN(C(=O)CCn2ccccc2=O)C[C@@H]1C1CC1
InChIInChI=1S/C15H21N3O2/c16-13-10-18(9-12(13)11-4-5-11)15(20)6-8-17-7-2-1-3-14(17)19/h1-3,7,11-13H,4-6,8-10,16H2/t12-,13+/m1/s1
InChIKeyZCWIQFRQIGSSIE-OLZOCXBDSA-N
XLogP0.43
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R,4S)-1-cyclohexyl-4-cyclopropylpyrrolidin-3-yl]-1,6-dimethyl-2-oxopyridine-3-carboxamide
CID 72937042
1-[1,4-Di(propan-2-yl)pyrrolidin-3-yl]pyridin-2-one
CID 166501057
3-(2-propan-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one
CID 47416186
3-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyridin-2-one
CID 63259156
5-Amino-1-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]pyridin-2-one
CID 65713041
3-{[(3S*,4R*)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]carbonyl}-6-methylpyridin-2(1H)-one
CID 72857027
3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 72857421
4-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one
CID 72863932
4-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidine-1-carbonyl]-1-ethylpyridin-2-one
CID 72869855
N-[(3R,4S)-1-(cyclobutylmethyl)-4-cyclopropylpyrrolidin-3-yl]-2-(2-oxo-1-pyridinyl)acetamide
CID 72874355
N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-1-methyl-2-oxopyridine-4-carboxamide
CID 72874748
N-[(3R,4S)-4-cyclopropyl-1-(1-methyl-2-oxopyridine-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 72877795

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one?
The IUPAC name of 1-[3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one (CID 72887547) is 1-[3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one.
What is the SMILES notation for 1-[3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one?
The canonical SMILES for 1-[3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one is N[C@H]1CN(C(=O)CCn2ccccc2=O)C[C@@H]1C1CC1.
What is the InChIKey of 1-[3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one?
The InChIKey is ZCWIQFRQIGSSIE-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H21N3O2/c16-13-10-18(9-12(13)11-4-5-11)15(20)6-8-17-7-2-1-3-14(17)19/h1-3,7,11-13H,4-6,8-10,16H2/t12-,13+/m1/s1.
What are the key properties of 1-[3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one?
1-[3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one has a molecular weight of 275.35 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one is sourced from PubChem (CID 72887547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).