N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide

C17H25N5O — CID 86792837

IUPACN-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide
SMILESCCn1c(C)cc(C(=O)NCc2nnc(C3CCC3)n2C)c1C
InChIInChI=1S/C17H25N5O/c1-5-22-11(2)9-14(12(22)3)17(23)18-10-15-19-20-16(21(15)4)13-7-6-8-13/h9,13H,5-8,10H2,1-4H3,(H,18,23)
InChIKeyKWIRUYMJENAIIB-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.45
Rot. Bonds5

About N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide

N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 86792837) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide
PubChem CID86792837
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC NameN-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide
SMILESCCn1c(C)cc(C(=O)NCc2nnc(C3CCC3)n2C)c1C
InChIInChI=1S/C17H25N5O/c1-5-22-11(2)9-14(12(22)3)17(23)18-10-15-19-20-16(21(15)4)13-7-6-8-13/h9,13H,5-8,10H2,1-4H3,(H,18,23)
InChIKeyKWIRUYMJENAIIB-UHFFFAOYSA-N
XLogP2.45
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide with MolForge

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Related Compounds

N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]propanamide
CID 75504251
N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide
CID 86789085
1-ethyl-2,5-dimethyl-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrole-3-carboxamide
CID 86800562
N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)butanamide
CID 75507628
(3S)-N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-5,6-dimethyl-2,3-dihydro-1-benzofuran-3-carboxamide
CID 124618645
N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4,4,4-trifluorobutanamide
CID 86792829
[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanone
CID 56817989
1-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide
CID 120654873
N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-1H-isochromene-1-carboxamide
CID 75507629
3-[(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)amino]propanoic acid
CID 119351480
(2S)-N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-hydroxy-2-methyl-4-phenylbutanamide
CID 124848461
N-(3-aminopropyl)-1-ethyl-2,5-dimethylpyrrole-3-carboxamide
CID 119407091

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide (CID 86792837) is N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide is CCn1c(C)cc(C(=O)NCc2nnc(C3CCC3)n2C)c1C.
What is the InChIKey of N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is KWIRUYMJENAIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-5-22-11(2)9-14(12(22)3)17(23)18-10-15-19-20-16(21(15)4)13-7-6-8-13/h9,13H,5-8,10H2,1-4H3,(H,18,23).
What are the key properties of N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide?
N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 86792837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).