2-ethyl-4-methyl-N-[4-methyl-3-(7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]azetidine-1-carboxamide

C21H25N5O — CID 171511800

IUPAC2-ethyl-4-methyl-N-[4-methyl-3-(7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]azetidine-1-carboxamide
SMILESCCC1CC(C)N1C(=O)Nc1ccc(C)c(-c2ncc3ccc(C)n3n2)c1
InChIInChI=1S/C21H25N5O/c1-5-17-10-15(4)25(17)21(27)23-16-8-6-13(2)19(11-16)20-22-12-18-9-7-14(3)26(18)24-20/h6-9,11-12,15,17H,5,10H2,1-4H3,(H,23,27)
InChIKeyKKCXESCJBJVJMQ-UHFFFAOYSA-N
MW363.47 g/mol
LogP4.42
Rot. Bonds3

About 2-ethyl-4-methyl-N-[4-methyl-3-(7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]azetidine-1-carboxamide

2-ethyl-4-methyl-N-[4-methyl-3-(7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]azetidine-1-carboxamide (PubChem CID 171511800) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 2-ethyl-4-methyl-N-[4-methyl-3-(7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name2-ethyl-4-methyl-N-[4-methyl-3-(7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]azetidine-1-carboxamide
PubChem CID171511800
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name2-ethyl-4-methyl-N-[4-methyl-3-(7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]azetidine-1-carboxamide
SMILESCCC1CC(C)N1C(=O)Nc1ccc(C)c(-c2ncc3ccc(C)n3n2)c1
InChIInChI=1S/C21H25N5O/c1-5-17-10-15(4)25(17)21(27)23-16-8-6-13(2)19(11-16)20-22-12-18-9-7-14(3)26(18)24-20/h6-9,11-12,15,17H,5,10H2,1-4H3,(H,23,27)
InChIKeyKKCXESCJBJVJMQ-UHFFFAOYSA-N
XLogP4.42
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-3-pyridin-2-ylphenyl)-2-ethyl-4-methylazetidine-1-carboxamide
CID 169176999
N-[3-(4-ethylpyrimidin-2-yl)-4-methylphenyl]-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide;molecular hydrogen
CID 169177032
N-(4-methyl-3-pyrimidin-2-ylphenyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 169176631
(1R,2R,4S)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-methyl-7-azabicyclo[2.2.1]heptane-7-carboxamide
CID 169176479
(2R,5R)-1-acetyl-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-5-methylpyrrolidine-2-carboxamide
CID 169176512
2-ethyl-4-methyl-N-(5-methyl-4-pyridin-2-yl-2-pyridinyl)azetidine-1-carboxamide;molecular hydrogen
CID 176940060
2,2,2-trifluoroethyl N-(4-methyl-3-pyrrolo[2,1-f][1,2,4]triazin-2-ylphenyl)carbamate
CID 171511722
(2R,5R)-1-(2-methoxyethyl)-5-methyl-4-methylidene-N-(4-methyl-3-pyrrolo[2,1-f][1,2,4]triazin-2-ylphenyl)pyrrolidine-2-carboxamide
CID 171511762
(5R)-3-methyl-N-[4-methyl-3-(2-methyltriazol-4-yl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 176940768
(5S)-3-methyl-N-(4-methyl-3-pyridin-3-ylphenyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 170617228
(4S)-6-[(Z)-2-aminoethenyl]-N-(4-methyl-3-pyrrolo[2,1-f][1,2,4]triazin-2-ylphenyl)-2,5-diazabicyclo[2.2.1]hept-5-ene-2-carboxamide;molecular hydrogen
CID 171511377
(3R)-N-(4-methyl-3-pyrrolo[2,1-f][1,2,4]triazin-2-ylphenyl)oxane-3-carboxamide
CID 171511776

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-N-[4-methyl-3-(7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]azetidine-1-carboxamide?
The IUPAC name of 2-ethyl-4-methyl-N-[4-methyl-3-(7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]azetidine-1-carboxamide (CID 171511800) is 2-ethyl-4-methyl-N-[4-methyl-3-(7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]azetidine-1-carboxamide.
What is the SMILES notation for 2-ethyl-4-methyl-N-[4-methyl-3-(7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]azetidine-1-carboxamide?
The canonical SMILES for 2-ethyl-4-methyl-N-[4-methyl-3-(7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]azetidine-1-carboxamide is CCC1CC(C)N1C(=O)Nc1ccc(C)c(-c2ncc3ccc(C)n3n2)c1.
What is the InChIKey of 2-ethyl-4-methyl-N-[4-methyl-3-(7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]azetidine-1-carboxamide?
The InChIKey is KKCXESCJBJVJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-5-17-10-15(4)25(17)21(27)23-16-8-6-13(2)19(11-16)20-22-12-18-9-7-14(3)26(18)24-20/h6-9,11-12,15,17H,5,10H2,1-4H3,(H,23,27).
What are the key properties of 2-ethyl-4-methyl-N-[4-methyl-3-(7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]azetidine-1-carboxamide?
2-ethyl-4-methyl-N-[4-methyl-3-(7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]azetidine-1-carboxamide has a molecular weight of 363.47 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-N-[4-methyl-3-(7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]azetidine-1-carboxamide is sourced from PubChem (CID 171511800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).