N-(cyclopropylmethyl)-1-[1-[(2-fluorophenyl)carbamoyl]azetidin-3-yl]triazole-4-carboxamide

C17H19FN6O2 — CID 91911455

IUPACN-(cyclopropylmethyl)-1-[1-[(2-fluorophenyl)carbamoyl]azetidin-3-yl]triazole-4-carboxamide
SMILESO=C(NCC1CC1)c1cn(C2CN(C(=O)Nc3ccccc3F)C2)nn1
InChIInChI=1S/C17H19FN6O2/c18-13-3-1-2-4-14(13)20-17(26)23-8-12(9-23)24-10-15(21-22-24)16(25)19-7-11-5-6-11/h1-4,10-12H,5-9H2,(H,19,25)(H,20,26)
InChIKeySDUCCHSPJYRKHX-UHFFFAOYSA-N
MW358.38 g/mol
LogP1.65
Rot. Bonds5

About N-(cyclopropylmethyl)-1-[1-[(2-fluorophenyl)carbamoyl]azetidin-3-yl]triazole-4-carboxamide

N-(cyclopropylmethyl)-1-[1-[(2-fluorophenyl)carbamoyl]azetidin-3-yl]triazole-4-carboxamide (PubChem CID 91911455) has the molecular formula C17H19FN6O2 and a molecular weight of 358.38 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[1-[(2-fluorophenyl)carbamoyl]azetidin-3-yl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[1-[(2-fluorophenyl)carbamoyl]azetidin-3-yl]triazole-4-carboxamide
PubChem CID91911455
Molecular FormulaC17H19FN6O2
Molecular Weight358.38 g/mol
Exact Mass358.16
IUPAC NameN-(cyclopropylmethyl)-1-[1-[(2-fluorophenyl)carbamoyl]azetidin-3-yl]triazole-4-carboxamide
SMILESO=C(NCC1CC1)c1cn(C2CN(C(=O)Nc3ccccc3F)C2)nn1
InChIInChI=1S/C17H19FN6O2/c18-13-3-1-2-4-14(13)20-17(26)23-8-12(9-23)24-10-15(21-22-24)16(25)19-7-11-5-6-11/h1-4,10-12H,5-9H2,(H,19,25)(H,20,26)
InChIKeySDUCCHSPJYRKHX-UHFFFAOYSA-N
XLogP1.65
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(cyclopentylmethylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311935
1-[1-(phenylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79312333
N-(cyclopropylmethyl)-1-(1-propylsulfonylazetidin-3-yl)triazole-4-carboxamide
CID 91911462
(3R,4S)-N-(2-fluorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide
CID 79410579
3-(2,3-dihydroindol-1-yl)-N-(2-fluorophenyl)azetidine-1-carboxamide
CID 23140046
1-(2-fluorophenyl)-3-[(4-hydroxycyclohexyl)methyl]urea
CID 106125111
N-(2-fluorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 113241349
N-(2-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 62917965
N-(cyclobutylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119724139
3-(cyclopropylmethoxy)-N-(2-fluorophenyl)pyrrolidine-1-carboxamide
CID 121197683
N-(cyclohexylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672522
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)azetidine-1-carboxamide
CID 23140532

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[1-[(2-fluorophenyl)carbamoyl]azetidin-3-yl]triazole-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-[1-[(2-fluorophenyl)carbamoyl]azetidin-3-yl]triazole-4-carboxamide (CID 91911455) is N-(cyclopropylmethyl)-1-[1-[(2-fluorophenyl)carbamoyl]azetidin-3-yl]triazole-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[1-[(2-fluorophenyl)carbamoyl]azetidin-3-yl]triazole-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-[1-[(2-fluorophenyl)carbamoyl]azetidin-3-yl]triazole-4-carboxamide is O=C(NCC1CC1)c1cn(C2CN(C(=O)Nc3ccccc3F)C2)nn1.
What is the InChIKey of N-(cyclopropylmethyl)-1-[1-[(2-fluorophenyl)carbamoyl]azetidin-3-yl]triazole-4-carboxamide?
The InChIKey is SDUCCHSPJYRKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6O2/c18-13-3-1-2-4-14(13)20-17(26)23-8-12(9-23)24-10-15(21-22-24)16(25)19-7-11-5-6-11/h1-4,10-12H,5-9H2,(H,19,25)(H,20,26).
What are the key properties of N-(cyclopropylmethyl)-1-[1-[(2-fluorophenyl)carbamoyl]azetidin-3-yl]triazole-4-carboxamide?
N-(cyclopropylmethyl)-1-[1-[(2-fluorophenyl)carbamoyl]azetidin-3-yl]triazole-4-carboxamide has a molecular weight of 358.38 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[1-[(2-fluorophenyl)carbamoyl]azetidin-3-yl]triazole-4-carboxamide is sourced from PubChem (CID 91911455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).