2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazo[4,5-b]pyridine-6-carboxamide

C16H13N5O2 — CID 166210603

IUPAC2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazo[4,5-b]pyridine-6-carboxamide
SMILESCc1nc2ncc(C(=O)Nc3ccc4oc(C)nc4c3)cc2[nH]1
InChIInChI=1S/C16H13N5O2/c1-8-18-13-5-10(7-17-15(13)19-8)16(22)21-11-3-4-14-12(6-11)20-9(2)23-14/h3-7H,1-2H3,(H,21,22)(H,17,18,19)
InChIKeyOPIYIJHVVNFYKO-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.97
Rot. Bonds2

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

2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 166210603) has the molecular formula C16H13N5O2 and a molecular weight of 307.31 g/mol. Its IUPAC name is 2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID166210603
Molecular FormulaC16H13N5O2
Molecular Weight307.31 g/mol
Exact Mass307.11
IUPAC Name2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazo[4,5-b]pyridine-6-carboxamide
SMILESCc1nc2ncc(C(=O)Nc3ccc4oc(C)nc4c3)cc2[nH]1
InChIInChI=1S/C16H13N5O2/c1-8-18-13-5-10(7-17-15(13)19-8)16(22)21-11-3-4-14-12(6-11)20-9(2)23-14/h3-7H,1-2H3,(H,21,22)(H,17,18,19)
InChIKeyOPIYIJHVVNFYKO-UHFFFAOYSA-N
XLogP2.97
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-1,3-benzoxazol-5-yl)-2H-triazolo[4,5-b]pyridine-6-carboxamide
CID 167943195
5,6-dichloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 60655081
N-(2-methyl-1,3-benzoxazol-5-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 17462153
1-benzyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 24622636
4,6-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 166401291
N-(2-methyl-1,3-benzoxazol-5-yl)-3-(trifluoromethyl)benzamide
CID 34303593
N-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,5-a]pyridine-7-carboxamide
CID 112525565
N-(2-methyl-1,3-benzoxazol-5-yl)-4-phenylmethoxybenzamide
CID 35591328
4-fluoro-N-(2-methyl-1,3-benzoxazol-5-yl)-1H-indole-2-carboxamide
CID 36805707
2,5-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)furan-3-carboxamide
CID 26662736
4-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 81225184
5-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80625344

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazo[4,5-b]pyridine-6-carboxamide (CID 166210603) is 2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazo[4,5-b]pyridine-6-carboxamide is Cc1nc2ncc(C(=O)Nc3ccc4oc(C)nc4c3)cc2[nH]1.
What is the InChIKey of 2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is OPIYIJHVVNFYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2/c1-8-18-13-5-10(7-17-15(13)19-8)16(22)21-11-3-4-14-12(6-11)20-9(2)23-14/h3-7H,1-2H3,(H,21,22)(H,17,18,19).
What are the key properties of 2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazo[4,5-b]pyridine-6-carboxamide?
2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 307.31 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 166210603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).