1-(adamantane-1-carbonyl)-N-(4-oxo-1H-pyridin-3-yl)pyrrolidine-2-carboxamide

C21H27N3O3 — CID 75364676

IUPAC1-(adamantane-1-carbonyl)-N-(4-oxo-1H-pyridin-3-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1c[nH]ccc1=O)C1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H27N3O3/c25-18-3-4-22-12-16(18)23-19(26)17-2-1-5-24(17)20(27)21-9-13-6-14(10-21)8-15(7-13)11-21/h3-4,12-15,17H,1-2,5-11H2,(H,22,25)(H,23,26)
InChIKeyXXMXHQWHEUKFDE-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.52
Rot. Bonds3

About 1-(adamantane-1-carbonyl)-N-(4-oxo-1H-pyridin-3-yl)pyrrolidine-2-carboxamide

1-(adamantane-1-carbonyl)-N-(4-oxo-1H-pyridin-3-yl)pyrrolidine-2-carboxamide (PubChem CID 75364676) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-(adamantane-1-carbonyl)-N-(4-oxo-1H-pyridin-3-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(adamantane-1-carbonyl)-N-(4-oxo-1H-pyridin-3-yl)pyrrolidine-2-carboxamide
PubChem CID75364676
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name1-(adamantane-1-carbonyl)-N-(4-oxo-1H-pyridin-3-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1c[nH]ccc1=O)C1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H27N3O3/c25-18-3-4-22-12-16(18)23-19(26)17-2-1-5-24(17)20(27)21-9-13-6-14(10-21)8-15(7-13)11-21/h3-4,12-15,17H,1-2,5-11H2,(H,22,25)(H,23,26)
InChIKeyXXMXHQWHEUKFDE-UHFFFAOYSA-N
XLogP2.52
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(adamantane-1-carbonyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)pyrrolidine-2-carboxamide
CID 31508787
(2R)-1-(adamantane-1-carbonyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 30933248
1-(adamantane-1-carbonyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 134005557
(2S)-1-(adamantane-1-carbonyl)-N-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 41271496
1-(adamantane-1-carbonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 75361991
(2R)-1-(adamantane-1-carbonyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-2-carboxamide
CID 51929068
1-(adamantane-1-carbonyl)-N-piperidin-4-ylpyrrolidine-2-carboxamide
CID 119389342
1-(adamantane-1-carbonyl)-N-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 119513584
1-(adamantane-1-carbonyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]pyrrolidine-2-carboxamide
CID 42906540
methyl (2S)-1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate
CID 7439326
1-(adamantane-1-carbonyl)-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide
CID 119503305
methyl 2-[[2-[4-[[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]acetyl]amino]acetate
CID 55781656

Frequently Asked Questions

What is the IUPAC name of 1-(adamantane-1-carbonyl)-N-(4-oxo-1H-pyridin-3-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(adamantane-1-carbonyl)-N-(4-oxo-1H-pyridin-3-yl)pyrrolidine-2-carboxamide (CID 75364676) is 1-(adamantane-1-carbonyl)-N-(4-oxo-1H-pyridin-3-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(adamantane-1-carbonyl)-N-(4-oxo-1H-pyridin-3-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(adamantane-1-carbonyl)-N-(4-oxo-1H-pyridin-3-yl)pyrrolidine-2-carboxamide is O=C(Nc1c[nH]ccc1=O)C1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(adamantane-1-carbonyl)-N-(4-oxo-1H-pyridin-3-yl)pyrrolidine-2-carboxamide?
The InChIKey is XXMXHQWHEUKFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c25-18-3-4-22-12-16(18)23-19(26)17-2-1-5-24(17)20(27)21-9-13-6-14(10-21)8-15(7-13)11-21/h3-4,12-15,17H,1-2,5-11H2,(H,22,25)(H,23,26).
What are the key properties of 1-(adamantane-1-carbonyl)-N-(4-oxo-1H-pyridin-3-yl)pyrrolidine-2-carboxamide?
1-(adamantane-1-carbonyl)-N-(4-oxo-1H-pyridin-3-yl)pyrrolidine-2-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(adamantane-1-carbonyl)-N-(4-oxo-1H-pyridin-3-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 75364676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).