N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methoxy-4-methylbenzamide

C21H18N4O2 — CID 44591923

IUPACN-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methoxy-4-methylbenzamide
SMILESCOc1cc(C)ccc1C(=O)Nc1ccccc1-c1nc2ncccc2[nH]1
InChIInChI=1S/C21H18N4O2/c1-13-9-10-15(18(12-13)27-2)21(26)24-16-7-4-3-6-14(16)19-23-17-8-5-11-22-20(17)25-19/h3-12H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyDHKYCHFNUPOQQU-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.19
Rot. Bonds4

About N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methoxy-4-methylbenzamide

N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methoxy-4-methylbenzamide (PubChem CID 44591923) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methoxy-4-methylbenzamide
PubChem CID44591923
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC NameN-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methoxy-4-methylbenzamide
SMILESCOc1cc(C)ccc1C(=O)Nc1ccccc1-c1nc2ncccc2[nH]1
InChIInChI=1S/C21H18N4O2/c1-13-9-10-15(18(12-13)27-2)21(26)24-16-7-4-3-6-14(16)19-23-17-8-5-11-22-20(17)25-19/h3-12H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyDHKYCHFNUPOQQU-UHFFFAOYSA-N
XLogP4.19
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 60848
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CID 139593670
3-methoxy-4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzamide
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Hedgehog IN-2
CID 67374621
N-(5-(1H-benzo[d]imidazol-2-yl)-2-methylphenyl)-4-(pyridin-2-ylmethoxy)benzamide
CID 68778068
N-[2-methyl-5-(2-methyl-1H-imidazol-5-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 68780878
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CID 162643373
4-[8-amino-3-[(3R)-1-(3-methyloxetane-3-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 162653315
[4-[3-(isopropylamino)-2-pyridyl]piperazin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methoxy-4-methylbenzamide?
The IUPAC name of N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methoxy-4-methylbenzamide (CID 44591923) is N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methoxy-4-methylbenzamide.
What is the SMILES notation for N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methoxy-4-methylbenzamide?
The canonical SMILES for N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methoxy-4-methylbenzamide is COc1cc(C)ccc1C(=O)Nc1ccccc1-c1nc2ncccc2[nH]1.
What is the InChIKey of N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methoxy-4-methylbenzamide?
The InChIKey is DHKYCHFNUPOQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-13-9-10-15(18(12-13)27-2)21(26)24-16-7-4-3-6-14(16)19-23-17-8-5-11-22-20(17)25-19/h3-12H,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methoxy-4-methylbenzamide?
N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methoxy-4-methylbenzamide has a molecular weight of 358.40 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methoxy-4-methylbenzamide is sourced from PubChem (CID 44591923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).