2-cyclopropyl-1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone

C15H21N3O — CID 124989627

IUPAC2-cyclopropyl-1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone
SMILESCNc1cc([C@@H]2CCCN2C(=O)CC2CC2)ccn1
InChIInChI=1S/C15H21N3O/c1-16-14-10-12(6-7-17-14)13-3-2-8-18(13)15(19)9-11-4-5-11/h6-7,10-11,13H,2-5,8-9H2,1H3,(H,16,17)/t13-/m0/s1
InChIKeyOVQBHEIVZXTWNS-ZDUSSCGKSA-N
MW259.35 g/mol
LogP2.59
Rot. Bonds4

About 2-cyclopropyl-1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone

2-cyclopropyl-1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone (PubChem CID 124989627) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-cyclopropyl-1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone
PubChem CID124989627
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-cyclopropyl-1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone
SMILESCNc1cc([C@@H]2CCCN2C(=O)CC2CC2)ccn1
InChIInChI=1S/C15H21N3O/c1-16-14-10-12(6-7-17-14)13-3-2-8-18(13)15(19)9-11-4-5-11/h6-7,10-11,13H,2-5,8-9H2,1H3,(H,16,17)/t13-/m0/s1
InChIKeyOVQBHEIVZXTWNS-ZDUSSCGKSA-N
XLogP2.59
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone
CID 127246703
1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-2-phenoxyethanone
CID 125009614
2-(benzotriazol-2-yl)-1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110105592
[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
CID 125001597
1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 110105585
2-(2-fluorophenoxy)-1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone
CID 124965516
2-(benzimidazol-1-yl)-1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone
CID 125014811
2-(benzotriazol-1-yl)-1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone
CID 125023926
3-(2-ethylimidazol-1-yl)-1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 110105596
2-(benzotriazol-1-yl)-1-[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone
CID 125023927
3-(3-methoxy-1,2-oxazol-5-yl)-1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 125023544
3-[2-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 125004054

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone (CID 124989627) is 2-cyclopropyl-1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone is CNc1cc([C@@H]2CCCN2C(=O)CC2CC2)ccn1.
What is the InChIKey of 2-cyclopropyl-1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone?
The InChIKey is OVQBHEIVZXTWNS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N3O/c1-16-14-10-12(6-7-17-14)13-3-2-8-18(13)15(19)9-11-4-5-11/h6-7,10-11,13H,2-5,8-9H2,1H3,(H,16,17)/t13-/m0/s1.
What are the key properties of 2-cyclopropyl-1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone?
2-cyclopropyl-1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone has a molecular weight of 259.35 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 124989627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).