N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-methylindole-2-carboxamide

C20H19N5O2 — CID 71709227

IUPACN-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-methylindole-2-carboxamide
SMILESCOCc1nc(-c2cccc(NC(=O)c3cc4ccccc4n3C)c2)n[nH]1
InChIInChI=1S/C20H19N5O2/c1-25-16-9-4-3-6-13(16)11-17(25)20(26)21-15-8-5-7-14(10-15)19-22-18(12-27-2)23-24-19/h3-11H,12H2,1-2H3,(H,21,26)(H,22,23,24)
InChIKeyUMTWRORXNYADLO-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.36
Rot. Bonds5

About N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-methylindole-2-carboxamide

N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-methylindole-2-carboxamide (PubChem CID 71709227) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-methylindole-2-carboxamide
PubChem CID71709227
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC NameN-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-methylindole-2-carboxamide
SMILESCOCc1nc(-c2cccc(NC(=O)c3cc4ccccc4n3C)c2)n[nH]1
InChIInChI=1S/C20H19N5O2/c1-25-16-9-4-3-6-13(16)11-17(25)20(26)21-15-8-5-7-14(10-15)19-22-18(12-27-2)23-24-19/h3-11H,12H2,1-2H3,(H,21,26)(H,22,23,24)
InChIKeyUMTWRORXNYADLO-UHFFFAOYSA-N
XLogP3.36
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-(1-methylindol-3-yl)acetamide
CID 91638996
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-methylindole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 166401449
N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 91822355
N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-1-methylindole-2-carboxamide
CID 138989491
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-1-methylindole-2-carboxamide
CID 60529287
N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-(pyrimidin-2-ylamino)propanamide
CID 71708029
1-methyl-N-(1H-pyrazol-4-yl)indole-2-carboxamide
CID 166206735
(3S)-N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125434169
N-(6-methoxy-3-pyridinyl)-1-methylindole-2-carboxamide
CID 56763350
2-methoxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60911506
dimethyl (E)-2-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)anilino]but-2-enedioate
CID 168569780
N-[3-[3-(carbamoylamino)butanoylamino]phenyl]-1-methylindole-2-carboxamide
CID 166376614

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-methylindole-2-carboxamide?
The IUPAC name of N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-methylindole-2-carboxamide (CID 71709227) is N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-methylindole-2-carboxamide.
What is the SMILES notation for N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-methylindole-2-carboxamide?
The canonical SMILES for N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-methylindole-2-carboxamide is COCc1nc(-c2cccc(NC(=O)c3cc4ccccc4n3C)c2)n[nH]1.
What is the InChIKey of N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-methylindole-2-carboxamide?
The InChIKey is UMTWRORXNYADLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-25-16-9-4-3-6-13(16)11-17(25)20(26)21-15-8-5-7-14(10-15)19-22-18(12-27-2)23-24-19/h3-11H,12H2,1-2H3,(H,21,26)(H,22,23,24).
What are the key properties of N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-methylindole-2-carboxamide?
N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-methylindole-2-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-methylindole-2-carboxamide is sourced from PubChem (CID 71709227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).