N-[(2-methoxyphenyl)methyl]-3-methyl-N-(oxolan-2-ylmethyl)triazolo[4,5-b]pyridine-7-carboxamide

C20H23N5O3 — CID 138992766

IUPACN-[(2-methoxyphenyl)methyl]-3-methyl-N-(oxolan-2-ylmethyl)triazolo[4,5-b]pyridine-7-carboxamide
SMILESCOc1ccccc1CN(CC1CCCO1)C(=O)c1ccnc2c1nnn2C
InChIInChI=1S/C20H23N5O3/c1-24-19-18(22-23-24)16(9-10-21-19)20(26)25(13-15-7-5-11-28-15)12-14-6-3-4-8-17(14)27-2/h3-4,6,8-10,15H,5,7,11-13H2,1-2H3
InChIKeyWXYRHGGFRTXHGI-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.19
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-3-methyl-N-(oxolan-2-ylmethyl)triazolo[4,5-b]pyridine-7-carboxamide

N-[(2-methoxyphenyl)methyl]-3-methyl-N-(oxolan-2-ylmethyl)triazolo[4,5-b]pyridine-7-carboxamide (PubChem CID 138992766) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-3-methyl-N-(oxolan-2-ylmethyl)triazolo[4,5-b]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-3-methyl-N-(oxolan-2-ylmethyl)triazolo[4,5-b]pyridine-7-carboxamide
PubChem CID138992766
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC NameN-[(2-methoxyphenyl)methyl]-3-methyl-N-(oxolan-2-ylmethyl)triazolo[4,5-b]pyridine-7-carboxamide
SMILESCOc1ccccc1CN(CC1CCCO1)C(=O)c1ccnc2c1nnn2C
InChIInChI=1S/C20H23N5O3/c1-24-19-18(22-23-24)16(9-10-21-19)20(26)25(13-15-7-5-11-28-15)12-14-6-3-4-8-17(14)27-2/h3-4,6,8-10,15H,5,7,11-13H2,1-2H3
InChIKeyWXYRHGGFRTXHGI-UHFFFAOYSA-N
XLogP2.19
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[(2-methoxyphenyl)methyl]-3-methyl-N-(oxolan-2-ylmethyl)triazolo[4,5-b]pyridine-7-carboxamide with MolForge

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Related Compounds

5-chloro-2-methoxy-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 55967862
5-fluoro-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 55969027
4-amino-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 119729693
N-[(2-methoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 52519504
4-ethoxy-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 55968249
5-amino-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 120623170
2-methoxy-6-methyl-N-[(2-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 131930751
N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
CID 55763179
3-iodo-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 55967993
2-(cyclopropylmethylamino)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 119729703
N-[(2-methoxyphenyl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 55702056
2-[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]acetamide
CID 94402680

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-3-methyl-N-(oxolan-2-ylmethyl)triazolo[4,5-b]pyridine-7-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-3-methyl-N-(oxolan-2-ylmethyl)triazolo[4,5-b]pyridine-7-carboxamide (CID 138992766) is N-[(2-methoxyphenyl)methyl]-3-methyl-N-(oxolan-2-ylmethyl)triazolo[4,5-b]pyridine-7-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-3-methyl-N-(oxolan-2-ylmethyl)triazolo[4,5-b]pyridine-7-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-3-methyl-N-(oxolan-2-ylmethyl)triazolo[4,5-b]pyridine-7-carboxamide is COc1ccccc1CN(CC1CCCO1)C(=O)c1ccnc2c1nnn2C.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-3-methyl-N-(oxolan-2-ylmethyl)triazolo[4,5-b]pyridine-7-carboxamide?
The InChIKey is WXYRHGGFRTXHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-24-19-18(22-23-24)16(9-10-21-19)20(26)25(13-15-7-5-11-28-15)12-14-6-3-4-8-17(14)27-2/h3-4,6,8-10,15H,5,7,11-13H2,1-2H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-3-methyl-N-(oxolan-2-ylmethyl)triazolo[4,5-b]pyridine-7-carboxamide?
N-[(2-methoxyphenyl)methyl]-3-methyl-N-(oxolan-2-ylmethyl)triazolo[4,5-b]pyridine-7-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-3-methyl-N-(oxolan-2-ylmethyl)triazolo[4,5-b]pyridine-7-carboxamide is sourced from PubChem (CID 138992766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).