4-hydroxy-2-(hydroxymethyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxamide

C15H22N4O3 — CID 75434904

IUPAC4-hydroxy-2-(hydroxymethyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccnc1N1CCCC1)N1CC(O)CC1CO
InChIInChI=1S/C15H22N4O3/c20-10-11-8-12(21)9-19(11)15(22)17-13-4-3-5-16-14(13)18-6-1-2-7-18/h3-5,11-12,20-21H,1-2,6-10H2,(H,17,22)
InChIKeyGNQOIFNJFKRQKC-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.64
Rot. Bonds3

About 4-hydroxy-2-(hydroxymethyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxamide

4-hydroxy-2-(hydroxymethyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxamide (PubChem CID 75434904) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-hydroxy-2-(hydroxymethyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-(hydroxymethyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxamide
PubChem CID75434904
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name4-hydroxy-2-(hydroxymethyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccnc1N1CCCC1)N1CC(O)CC1CO
InChIInChI=1S/C15H22N4O3/c20-10-11-8-12(21)9-19(11)15(22)17-13-4-3-5-16-14(13)18-6-1-2-7-18/h3-5,11-12,20-21H,1-2,6-10H2,(H,17,22)
InChIKeyGNQOIFNJFKRQKC-UHFFFAOYSA-N
XLogP0.64
TPSA88.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-N-(2-piperidin-1-yl-3-pyridinyl)pyrrolidine-1,3-dicarboxamide
CID 95580121
4-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxamide
CID 47041032
(2S)-2-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxamide
CID 52510173
1-cyclopropyl-1-(4-hydroxybutyl)-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
CID 111722528
3-[4-(hydroxymethyl)triazol-1-yl]-N-(2-pyrrolidin-1-yl-3-pyridinyl)azetidine-1-carboxamide
CID 146104104
(2R,4R)-4-hydroxy-2-(hydroxymethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 97247545
4-hydroxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)pentanamide
CID 79200601
4-amino-N-(2-pyrrolidin-1-yl-3-pyridinyl)cyclohexane-1-carboxamide
CID 60847644
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
CID 111573124
N-(2-pyrrolidin-1-yl-3-pyridinyl)-2,3-dihydroimidazo[1,2-a]imidazole-1-carboxamide
CID 126818265
4-(furan-2-carbonyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-carboxamide
CID 136577040
3-amino-2,2-dimethyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 115426176

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(hydroxymethyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxamide?
The IUPAC name of 4-hydroxy-2-(hydroxymethyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxamide (CID 75434904) is 4-hydroxy-2-(hydroxymethyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 4-hydroxy-2-(hydroxymethyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 4-hydroxy-2-(hydroxymethyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxamide is O=C(Nc1cccnc1N1CCCC1)N1CC(O)CC1CO.
What is the InChIKey of 4-hydroxy-2-(hydroxymethyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxamide?
The InChIKey is GNQOIFNJFKRQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c20-10-11-8-12(21)9-19(11)15(22)17-13-4-3-5-16-14(13)18-6-1-2-7-18/h3-5,11-12,20-21H,1-2,6-10H2,(H,17,22).
What are the key properties of 4-hydroxy-2-(hydroxymethyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxamide?
4-hydroxy-2-(hydroxymethyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(hydroxymethyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 75434904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).