7-[(2-ethyl-6-methylphenyl)methylamino]-N-(2-hydroxyethyl)-2,3-dimethylimidazo[4,5-b]pyridine-5-carboxamide

C21H27N5O2 — CID 69239506

IUPAC7-[(2-ethyl-6-methylphenyl)methylamino]-N-(2-hydroxyethyl)-2,3-dimethylimidazo[4,5-b]pyridine-5-carboxamide
SMILESCCc1cccc(C)c1CNc1cc(C(=O)NCCO)nc2c1nc(C)n2C
InChIInChI=1S/C21H27N5O2/c1-5-15-8-6-7-13(2)16(15)12-23-17-11-18(21(28)22-9-10-27)25-20-19(17)24-14(3)26(20)4/h6-8,11,27H,5,9-10,12H2,1-4H3,(H,22,28)(H,23,25)
InChIKeyVNKIWIPPRRSNOR-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.48
Rot. Bonds7

About 7-[(2-ethyl-6-methylphenyl)methylamino]-N-(2-hydroxyethyl)-2,3-dimethylimidazo[4,5-b]pyridine-5-carboxamide

7-[(2-ethyl-6-methylphenyl)methylamino]-N-(2-hydroxyethyl)-2,3-dimethylimidazo[4,5-b]pyridine-5-carboxamide (PubChem CID 69239506) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 7-[(2-ethyl-6-methylphenyl)methylamino]-N-(2-hydroxyethyl)-2,3-dimethylimidazo[4,5-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name7-[(2-ethyl-6-methylphenyl)methylamino]-N-(2-hydroxyethyl)-2,3-dimethylimidazo[4,5-b]pyridine-5-carboxamide
PubChem CID69239506
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name7-[(2-ethyl-6-methylphenyl)methylamino]-N-(2-hydroxyethyl)-2,3-dimethylimidazo[4,5-b]pyridine-5-carboxamide
SMILESCCc1cccc(C)c1CNc1cc(C(=O)NCCO)nc2c1nc(C)n2C
InChIInChI=1S/C21H27N5O2/c1-5-15-8-6-7-13(2)16(15)12-23-17-11-18(21(28)22-9-10-27)25-20-19(17)24-14(3)26(20)4/h6-8,11,27H,5,9-10,12H2,1-4H3,(H,22,28)(H,23,25)
InChIKeyVNKIWIPPRRSNOR-UHFFFAOYSA-N
XLogP2.48
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 7-[(2-ethyl-6-methylphenyl)methylamino]-N-(2-hydroxyethyl)-2,3-dimethylimidazo[4,5-b]pyridine-5-carboxamide with MolForge

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Related Compounds

5-chloro-N-[(2-ethyl-6-methylphenyl)methyl]-2,3-dimethylimidazo[4,5-b]pyridin-7-amine
CID 86620286
8-[(2-ethyl-6-methylphenyl)methylamino]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 11370742
3-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
CID 109480053
3-[(2,4-dimethylphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
CID 110906218
[8-[(2-ethyl-6-methylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 69374515
6-(2,3-dimethylanilino)-2-methyl-N-propylpyrimidine-4-carboxamide
CID 109360277
3-[(2,5-difluorophenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
CID 110906159
6-(2-ethylanilino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369694
5-amino-N-(2-hydroxyethyl)-2,3-dimethylimidazole-4-carboxamide
CID 86767708
[8-[(2-ethyl-6-methylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-7-yl]-(4-methylpiperazin-1-yl)methanone
CID 69374512
3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
CID 110906152
(2-ethyl-6-methylphenyl)methanol
CID 52987948

Frequently Asked Questions

What is the IUPAC name of 7-[(2-ethyl-6-methylphenyl)methylamino]-N-(2-hydroxyethyl)-2,3-dimethylimidazo[4,5-b]pyridine-5-carboxamide?
The IUPAC name of 7-[(2-ethyl-6-methylphenyl)methylamino]-N-(2-hydroxyethyl)-2,3-dimethylimidazo[4,5-b]pyridine-5-carboxamide (CID 69239506) is 7-[(2-ethyl-6-methylphenyl)methylamino]-N-(2-hydroxyethyl)-2,3-dimethylimidazo[4,5-b]pyridine-5-carboxamide.
What is the SMILES notation for 7-[(2-ethyl-6-methylphenyl)methylamino]-N-(2-hydroxyethyl)-2,3-dimethylimidazo[4,5-b]pyridine-5-carboxamide?
The canonical SMILES for 7-[(2-ethyl-6-methylphenyl)methylamino]-N-(2-hydroxyethyl)-2,3-dimethylimidazo[4,5-b]pyridine-5-carboxamide is CCc1cccc(C)c1CNc1cc(C(=O)NCCO)nc2c1nc(C)n2C.
What is the InChIKey of 7-[(2-ethyl-6-methylphenyl)methylamino]-N-(2-hydroxyethyl)-2,3-dimethylimidazo[4,5-b]pyridine-5-carboxamide?
The InChIKey is VNKIWIPPRRSNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-5-15-8-6-7-13(2)16(15)12-23-17-11-18(21(28)22-9-10-27)25-20-19(17)24-14(3)26(20)4/h6-8,11,27H,5,9-10,12H2,1-4H3,(H,22,28)(H,23,25).
What are the key properties of 7-[(2-ethyl-6-methylphenyl)methylamino]-N-(2-hydroxyethyl)-2,3-dimethylimidazo[4,5-b]pyridine-5-carboxamide?
7-[(2-ethyl-6-methylphenyl)methylamino]-N-(2-hydroxyethyl)-2,3-dimethylimidazo[4,5-b]pyridine-5-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.48, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-ethyl-6-methylphenyl)methylamino]-N-(2-hydroxyethyl)-2,3-dimethylimidazo[4,5-b]pyridine-5-carboxamide is sourced from PubChem (CID 69239506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).