6-ethyl-3-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C19H18N6O2 — CID 46976516

IUPAC6-ethyl-3-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCc1cc(C(=O)Nc2cccc(Cn3cncn3)c2)c2c(C)noc2n1
InChIInChI=1S/C19H18N6O2/c1-3-14-8-16(17-12(2)24-27-19(17)23-14)18(26)22-15-6-4-5-13(7-15)9-25-11-20-10-21-25/h4-8,10-11H,3,9H2,1-2H3,(H,22,26)
InChIKeyMTCXOXJNEYIPEJ-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.99
Rot. Bonds5

About 6-ethyl-3-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-ethyl-3-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 46976516) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 6-ethyl-3-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-ethyl-3-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID46976516
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name6-ethyl-3-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCc1cc(C(=O)Nc2cccc(Cn3cncn3)c2)c2c(C)noc2n1
InChIInChI=1S/C19H18N6O2/c1-3-14-8-16(17-12(2)24-27-19(17)23-14)18(26)22-15-6-4-5-13(7-15)9-25-11-20-10-21-25/h4-8,10-11H,3,9H2,1-2H3,(H,22,26)
InChIKeyMTCXOXJNEYIPEJ-UHFFFAOYSA-N
XLogP2.99
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(furan-2-yl)-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55610716
2-bromo-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 107904129
(2S)-2-amino-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]butanamide
CID 79024231
1-propan-2-yl-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]urea
CID 47307477
2,2-dimethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 61034736
3-(ethylamino)-2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 62853447
2-amino-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide;dihydrochloride
CID 119852264
4-hydroxy-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide
CID 79205206
6-(2,5-dimethylthiophen-3-yl)-N-[3-(imidazol-1-ylmethyl)phenyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 146086511
6-ethyl-3-methyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46979230
N-(3-acetylphenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 45491955
N-(1-benzyl-1,2,4-triazol-3-yl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 138994459

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-ethyl-3-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 46976516) is 6-ethyl-3-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-ethyl-3-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-ethyl-3-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CCc1cc(C(=O)Nc2cccc(Cn3cncn3)c2)c2c(C)noc2n1.
What is the InChIKey of 6-ethyl-3-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is MTCXOXJNEYIPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-3-14-8-16(17-12(2)24-27-19(17)23-14)18(26)22-15-6-4-5-13(7-15)9-25-11-20-10-21-25/h4-8,10-11H,3,9H2,1-2H3,(H,22,26).
What are the key properties of 6-ethyl-3-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-ethyl-3-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 46976516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).