N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide

C21H22N6O2 — CID 176506197

IUPACN-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESCc1noc(C(C)N(C)C(=O)c2cnc3c(c2)ncn3CCc2ccccc2)n1
InChIInChI=1S/C21H22N6O2/c1-14(20-24-15(2)25-29-20)26(3)21(28)17-11-18-19(22-12-17)27(13-23-18)10-9-16-7-5-4-6-8-16/h4-8,11-14H,9-10H2,1-3H3
InChIKeyHCQAYGSNDQBWIE-UHFFFAOYSA-N
MW390.45 g/mol
LogP3.20
Rot. Bonds6

About N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide

N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 176506197) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID176506197
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC NameN-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESCc1noc(C(C)N(C)C(=O)c2cnc3c(c2)ncn3CCc2ccccc2)n1
InChIInChI=1S/C21H22N6O2/c1-14(20-24-15(2)25-29-20)26(3)21(28)17-11-18-19(22-12-17)27(13-23-18)10-9-16-7-5-4-6-8-16/h4-8,11-14H,9-10H2,1-3H3
InChIKeyHCQAYGSNDQBWIE-UHFFFAOYSA-N
XLogP3.20
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methyl-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176500082
N-methyl-3-(2-methylpropyl)-N-(1-thiophen-2-ylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 175645068
N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-N-methyl-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176500918
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176506792
N-(oxolan-3-yl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 175641497
5-hydroxy-N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-2-carboxamide
CID 154846164
[(4aS,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-[3-(2-phenylethyl)imidazo[4,5-b]pyridin-6-yl]methanone
CID 176506365
N-(oxan-3-ylmethyl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176504304
8a-ethyl-7-[3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carbonyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 176506766
[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[3-(2-phenylethyl)imidazo[4,5-b]pyridin-6-yl]methanone
CID 176504399
9-methyl-2-[3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 176504094
2-methyl-8-[3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 176503516

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide (CID 176506197) is N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide is Cc1noc(C(C)N(C)C(=O)c2cnc3c(c2)ncn3CCc2ccccc2)n1.
What is the InChIKey of N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is HCQAYGSNDQBWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-14(20-24-15(2)25-29-20)26(3)21(28)17-11-18-19(22-12-17)27(13-23-18)10-9-16-7-5-4-6-8-16/h4-8,11-14H,9-10H2,1-3H3.
What are the key properties of N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide?
N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 390.45 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 176506197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).