N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C19H22N8O2 — CID 157012736

IUPACN-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCOCCn1cnnc1CCNC(=O)c1ccc2nnc(-c3cccn3C)n2c1
InChIInChI=1S/C19H22N8O2/c1-25-9-3-4-15(25)18-24-23-17-6-5-14(12-27(17)18)19(28)20-8-7-16-22-21-13-26(16)10-11-29-2/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,20,28)
InChIKeyZWAJLGNKJAIDOJ-UHFFFAOYSA-N
MW394.44 g/mol
LogP0.95
Rot. Bonds8

About N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 157012736) has the molecular formula C19H22N8O2 and a molecular weight of 394.44 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID157012736
Molecular FormulaC19H22N8O2
Molecular Weight394.44 g/mol
Exact Mass394.19
IUPAC NameN-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCOCCn1cnnc1CCNC(=O)c1ccc2nnc(-c3cccn3C)n2c1
InChIInChI=1S/C19H22N8O2/c1-25-9-3-4-15(25)18-24-23-17-6-5-14(12-27(17)18)19(28)20-8-7-16-22-21-13-26(16)10-11-29-2/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,20,28)
InChIKeyZWAJLGNKJAIDOJ-UHFFFAOYSA-N
XLogP0.95
TPSA104.16 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide with MolForge

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Related Compounds

3-(1-methylpyrrol-2-yl)-N-(1,2-oxazol-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 157019171
N-(2-methoxyethyl)-3-(1H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 137291262
N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 157016114
N-(2-methoxyethyl)-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134800528
2-(2-chlorophenyl)-2-hydroxy-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide
CID 118765487
1-ethyl-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-6-methyl-2-oxopyridine-3-carboxamide
CID 119058957
5-methoxy-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-methylpyridine-4-carboxamide
CID 146043861
methyl (2S)-3-(1H-imidazol-5-yl)-2-[[3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]amino]propanoate
CID 156584943
2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methylethanamine
CID 62711589
N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 154565636
N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 118789537
N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 91783809

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 157012736) is N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is COCCn1cnnc1CCNC(=O)c1ccc2nnc(-c3cccn3C)n2c1.
What is the InChIKey of N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is ZWAJLGNKJAIDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O2/c1-25-9-3-4-15(25)18-24-23-17-6-5-14(12-27(17)18)19(28)20-8-7-16-22-21-13-26(16)10-11-29-2/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,20,28).
What are the key properties of N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 394.44 g/mol, XLogP of 0.95, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 157012736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).