2-cyclopropyl-N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-6-oxo-1H-pyridine-4-carboxamide

C17H21N3O3 — CID 164640053

IUPAC2-cyclopropyl-N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-6-oxo-1H-pyridine-4-carboxamide
SMILESO=C(NC[C@H]1CC(=O)N(C2CC2)C1)c1cc(C2CC2)[nH]c(=O)c1
InChIInChI=1S/C17H21N3O3/c21-15-7-12(6-14(19-15)11-1-2-11)17(23)18-8-10-5-16(22)20(9-10)13-3-4-13/h6-7,10-11,13H,1-5,8-9H2,(H,18,23)(H,19,21)/t10-/m1/s1
InChIKeyIUUIESGWHBBCAC-SNVBAGLBSA-N
MW315.37 g/mol
LogP0.99
Rot. Bonds5

About 2-cyclopropyl-N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-6-oxo-1H-pyridine-4-carboxamide

2-cyclopropyl-N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-6-oxo-1H-pyridine-4-carboxamide (PubChem CID 164640053) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-cyclopropyl-N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-6-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-6-oxo-1H-pyridine-4-carboxamide
PubChem CID164640053
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name2-cyclopropyl-N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-6-oxo-1H-pyridine-4-carboxamide
SMILESO=C(NC[C@H]1CC(=O)N(C2CC2)C1)c1cc(C2CC2)[nH]c(=O)c1
InChIInChI=1S/C17H21N3O3/c21-15-7-12(6-14(19-15)11-1-2-11)17(23)18-8-10-5-16(22)20(9-10)13-3-4-13/h6-7,10-11,13H,1-5,8-9H2,(H,18,23)(H,19,21)/t10-/m1/s1
InChIKeyIUUIESGWHBBCAC-SNVBAGLBSA-N
XLogP0.99
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-6-oxo-1H-pyridine-4-carboxamide with MolForge

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Related Compounds

2-methyl-6-oxo-N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]-1H-pyridine-4-carboxamide
CID 125136966
5-cyclopropyl-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-6-oxo-1H-pyridine-2-carboxamide
CID 130365315
5-cyclopropyl-N-[(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide
CID 130365316
6-cyclopropyl-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-2-oxo-1H-pyridine-3-carboxamide
CID 130365467
6-cyclopropyl-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 130365468
6-cyclopropyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 130375911
5-cyclopropyl-N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide
CID 130380640
N-cyclopropyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxamide
CID 141104099
5-cyclopropyl-N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide;molecular hydrogen
CID 145040163
6-cyclopropyl-N-[(4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 145040172
N-[1-[(2S)-4-butyl-2-ethyl-1,2-dihydropyridine-6-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide
CID 145063044
ethane;3-ethyl-6-pyrrolidin-3-yl-1H-pyridin-2-one
CID 169149127

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-6-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-6-oxo-1H-pyridine-4-carboxamide (CID 164640053) is 2-cyclopropyl-N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-6-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-6-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-6-oxo-1H-pyridine-4-carboxamide is O=C(NC[C@H]1CC(=O)N(C2CC2)C1)c1cc(C2CC2)[nH]c(=O)c1.
What is the InChIKey of 2-cyclopropyl-N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-6-oxo-1H-pyridine-4-carboxamide?
The InChIKey is IUUIESGWHBBCAC-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H21N3O3/c21-15-7-12(6-14(19-15)11-1-2-11)17(23)18-8-10-5-16(22)20(9-10)13-3-4-13/h6-7,10-11,13H,1-5,8-9H2,(H,18,23)(H,19,21)/t10-/m1/s1.
What are the key properties of 2-cyclopropyl-N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-6-oxo-1H-pyridine-4-carboxamide?
2-cyclopropyl-N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-6-oxo-1H-pyridine-4-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-6-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 164640053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).