[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-phenylmethanone

C17H19N3O — CID 125001597

IUPAC[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
SMILESCNc1cc([C@H]2CCCN2C(=O)c2ccccc2)ccn1
InChIInChI=1S/C17H19N3O/c1-18-16-12-14(9-10-19-16)15-8-5-11-20(15)17(21)13-6-3-2-4-7-13/h2-4,6-7,9-10,12,15H,5,8,11H2,1H3,(H,18,19)/t15-/m1/s1
InChIKeySEMIGPQKKQDJAE-OAHLLOKOSA-N
MW281.36 g/mol
LogP3.10
Rot. Bonds3

About [(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-phenylmethanone

[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-phenylmethanone (PubChem CID 125001597) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is [(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
PubChem CID125001597
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
SMILESCNc1cc([C@H]2CCCN2C(=O)c2ccccc2)ccn1
InChIInChI=1S/C17H19N3O/c1-18-16-12-14(9-10-19-16)15-8-5-11-20(15)17(21)13-6-3-2-4-7-13/h2-4,6-7,9-10,12,15H,5,8,11H2,1H3,(H,18,19)/t15-/m1/s1
InChIKeySEMIGPQKKQDJAE-OAHLLOKOSA-N
XLogP3.10
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-2-phenoxyethanone
CID 125009614
[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 124948233
2-(benzotriazol-2-yl)-1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110105592
2-cyclopropyl-1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone
CID 124989627
3-methyl-5-[2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1,3-benzoxazol-2-one
CID 118741479
3-[2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridazin-6-one
CID 110105582
(2-ethoxy-3-pyridinyl)-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone
CID 125016079
2-cyclopentyl-1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone
CID 127246703
(6-imidazol-1-yl-3-pyridinyl)-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone
CID 110105665
3-[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 125007181
2-(2-fluorophenoxy)-1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone
CID 124965516
[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 124995807

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-phenylmethanone?
The IUPAC name of [(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-phenylmethanone (CID 125001597) is [(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-phenylmethanone.
What is the SMILES notation for [(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-phenylmethanone?
The canonical SMILES for [(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-phenylmethanone is CNc1cc([C@H]2CCCN2C(=O)c2ccccc2)ccn1.
What is the InChIKey of [(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-phenylmethanone?
The InChIKey is SEMIGPQKKQDJAE-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H19N3O/c1-18-16-12-14(9-10-19-16)15-8-5-11-20(15)17(21)13-6-3-2-4-7-13/h2-4,6-7,9-10,12,15H,5,8,11H2,1H3,(H,18,19)/t15-/m1/s1.
What are the key properties of [(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-phenylmethanone?
[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-phenylmethanone has a molecular weight of 281.36 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-phenylmethanone is sourced from PubChem (CID 125001597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).