3-[4-(hydroxymethyl)triazol-1-yl]-N-(2-pyrrolidin-1-yl-3-pyridinyl)azetidine-1-carboxamide

C16H21N7O2 — CID 146104104

IUPAC3-[4-(hydroxymethyl)triazol-1-yl]-N-(2-pyrrolidin-1-yl-3-pyridinyl)azetidine-1-carboxamide
SMILESO=C(Nc1cccnc1N1CCCC1)N1CC(n2cc(CO)nn2)C1
InChIInChI=1S/C16H21N7O2/c24-11-12-8-23(20-19-12)13-9-22(10-13)16(25)18-14-4-3-5-17-15(14)21-6-1-2-7-21/h3-5,8,13,24H,1-2,6-7,9-11H2,(H,18,25)
InChIKeyGTCPLIYNMKDWLF-UHFFFAOYSA-N
MW343.39 g/mol
LogP0.85
Rot. Bonds4

About 3-[4-(hydroxymethyl)triazol-1-yl]-N-(2-pyrrolidin-1-yl-3-pyridinyl)azetidine-1-carboxamide

3-[4-(hydroxymethyl)triazol-1-yl]-N-(2-pyrrolidin-1-yl-3-pyridinyl)azetidine-1-carboxamide (PubChem CID 146104104) has the molecular formula C16H21N7O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 3-[4-(hydroxymethyl)triazol-1-yl]-N-(2-pyrrolidin-1-yl-3-pyridinyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[4-(hydroxymethyl)triazol-1-yl]-N-(2-pyrrolidin-1-yl-3-pyridinyl)azetidine-1-carboxamide
PubChem CID146104104
Molecular FormulaC16H21N7O2
Molecular Weight343.39 g/mol
Exact Mass343.18
IUPAC Name3-[4-(hydroxymethyl)triazol-1-yl]-N-(2-pyrrolidin-1-yl-3-pyridinyl)azetidine-1-carboxamide
SMILESO=C(Nc1cccnc1N1CCCC1)N1CC(n2cc(CO)nn2)C1
InChIInChI=1S/C16H21N7O2/c24-11-12-8-23(20-19-12)13-9-22(10-13)16(25)18-14-4-3-5-17-15(14)21-6-1-2-7-21/h3-5,8,13,24H,1-2,6-7,9-11H2,(H,18,25)
InChIKeyGTCPLIYNMKDWLF-UHFFFAOYSA-N
XLogP0.85
TPSA99.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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
4-hydroxy-2-(hydroxymethyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxamide
CID 75434904
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
CID 111573124
4-(furan-2-carbonyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-carboxamide
CID 136577040
3-(2,5-difluorophenyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxamide
CID 119045993
3-amino-2,2-dimethyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 115426176
N-[(1-methyltriazol-4-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 55113792
4-hydroxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)pentanamide
CID 79200601
1-buta-2,3-dienyl-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
CID 126841002
2-methoxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 47308006
1-[1-(phenylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79312333

Frequently Asked Questions

What is the IUPAC name of 3-[4-(hydroxymethyl)triazol-1-yl]-N-(2-pyrrolidin-1-yl-3-pyridinyl)azetidine-1-carboxamide?
The IUPAC name of 3-[4-(hydroxymethyl)triazol-1-yl]-N-(2-pyrrolidin-1-yl-3-pyridinyl)azetidine-1-carboxamide (CID 146104104) is 3-[4-(hydroxymethyl)triazol-1-yl]-N-(2-pyrrolidin-1-yl-3-pyridinyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-[4-(hydroxymethyl)triazol-1-yl]-N-(2-pyrrolidin-1-yl-3-pyridinyl)azetidine-1-carboxamide?
The canonical SMILES for 3-[4-(hydroxymethyl)triazol-1-yl]-N-(2-pyrrolidin-1-yl-3-pyridinyl)azetidine-1-carboxamide is O=C(Nc1cccnc1N1CCCC1)N1CC(n2cc(CO)nn2)C1.
What is the InChIKey of 3-[4-(hydroxymethyl)triazol-1-yl]-N-(2-pyrrolidin-1-yl-3-pyridinyl)azetidine-1-carboxamide?
The InChIKey is GTCPLIYNMKDWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O2/c24-11-12-8-23(20-19-12)13-9-22(10-13)16(25)18-14-4-3-5-17-15(14)21-6-1-2-7-21/h3-5,8,13,24H,1-2,6-7,9-11H2,(H,18,25).
What are the key properties of 3-[4-(hydroxymethyl)triazol-1-yl]-N-(2-pyrrolidin-1-yl-3-pyridinyl)azetidine-1-carboxamide?
3-[4-(hydroxymethyl)triazol-1-yl]-N-(2-pyrrolidin-1-yl-3-pyridinyl)azetidine-1-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(hydroxymethyl)triazol-1-yl]-N-(2-pyrrolidin-1-yl-3-pyridinyl)azetidine-1-carboxamide is sourced from PubChem (CID 146104104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).