1-(2,2-dimethylpropanoyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide

C14H23N5O2 — CID 64511827

IUPAC1-(2,2-dimethylpropanoyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide
SMILESCN(Cc1ncn[nH]1)C(=O)C1CCCN1C(=O)C(C)(C)C
InChIInChI=1S/C14H23N5O2/c1-14(2,3)13(21)19-7-5-6-10(19)12(20)18(4)8-11-15-9-16-17-11/h9-10H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyJWWSMJABDZOCMV-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.80
Rot. Bonds3

About 1-(2,2-dimethylpropanoyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide

1-(2,2-dimethylpropanoyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 64511827) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID64511827
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name1-(2,2-dimethylpropanoyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide
SMILESCN(Cc1ncn[nH]1)C(=O)C1CCCN1C(=O)C(C)(C)C
InChIInChI=1S/C14H23N5O2/c1-14(2,3)13(21)19-7-5-6-10(19)12(20)18(4)8-11-15-9-16-17-11/h9-10H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyJWWSMJABDZOCMV-UHFFFAOYSA-N
XLogP0.80
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentanecarboxamide
CID 64510528
1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]azepane-2-carboxylic acid
CID 64561965
1-(2,2-dimethylpropanoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60858063
(3S)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide
CID 81141505
1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-2-carboxylic acid
CID 64511039
2-amino-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 64519414
1-(2,2-dimethylpropanoyl)-N-(4-ethyl-1H-pyrazol-5-yl)pyrrolidine-2-carboxamide
CID 104620312
(2R,3R)-2-ethyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-3-carboxamide
CID 129479147
(2S,3S)-2-ethyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-3-carboxamide
CID 129479148
3-methyl-3-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]butanoic acid
CID 64702082
N-cyclobutyl-1-(2,2-dimethylpropanoyl)-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide
CID 102867252
N,7a-dimethyl-5-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 64510271

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide (CID 64511827) is 1-(2,2-dimethylpropanoyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide is CN(Cc1ncn[nH]1)C(=O)C1CCCN1C(=O)C(C)(C)C.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is JWWSMJABDZOCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-14(2,3)13(21)19-7-5-6-10(19)12(20)18(4)8-11-15-9-16-17-11/h9-10H,5-8H2,1-4H3,(H,15,16,17).
What are the key properties of 1-(2,2-dimethylpropanoyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide?
1-(2,2-dimethylpropanoyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 64511827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).