3-[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one

C19H22N4O2 — CID 125007181

IUPAC3-[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
SMILESCNc1cc([C@H]2CCCN2C(=O)c2cc3c([nH]c2=O)CCC3)ccn1
InChIInChI=1S/C19H22N4O2/c1-20-17-11-13(7-8-21-17)16-6-3-9-23(16)19(25)14-10-12-4-2-5-15(12)22-18(14)24/h7-8,10-11,16H,2-6,9H2,1H3,(H,20,21)(H,22,24)/t16-/m1/s1
InChIKeyULNNYBQLQUSTCS-MRXNPFEDSA-N
MW338.41 g/mol
LogP2.28
Rot. Bonds3

About 3-[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one

3-[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one (PubChem CID 125007181) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name3-[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
PubChem CID125007181
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name3-[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
SMILESCNc1cc([C@H]2CCCN2C(=O)c2cc3c([nH]c2=O)CCC3)ccn1
InChIInChI=1S/C19H22N4O2/c1-20-17-11-13(7-8-21-17)16-6-3-9-23(16)19(25)14-10-12-4-2-5-15(12)22-18(14)24/h7-8,10-11,16H,2-6,9H2,1H3,(H,20,21)(H,22,24)/t16-/m1/s1
InChIKeyULNNYBQLQUSTCS-MRXNPFEDSA-N
XLogP2.28
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one with MolForge

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Related Compounds

3-(2-pyridin-4-ylpyrrolidine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 71893548
[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
CID 125001597
3-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 124946295
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
[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 124948233
2-cyclopropyl-1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone
CID 124989627
2-cyclopentyl-1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone
CID 127246703
3-[(2S)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 124973567
2-(benzotriazol-2-yl)-1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110105592
1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-2-phenoxyethanone
CID 125009614
3-methyl-5-[2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1,3-benzoxazol-2-one
CID 118741479

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
The IUPAC name of 3-[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one (CID 125007181) is 3-[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one.
What is the SMILES notation for 3-[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
The canonical SMILES for 3-[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one is CNc1cc([C@H]2CCCN2C(=O)c2cc3c([nH]c2=O)CCC3)ccn1.
What is the InChIKey of 3-[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
The InChIKey is ULNNYBQLQUSTCS-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-20-17-11-13(7-8-21-17)16-6-3-9-23(16)19(25)14-10-12-4-2-5-15(12)22-18(14)24/h7-8,10-11,16H,2-6,9H2,1H3,(H,20,21)(H,22,24)/t16-/m1/s1.
What are the key properties of 3-[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
3-[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one has a molecular weight of 338.41 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one is sourced from PubChem (CID 125007181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).