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

C21H18N4O2 — CID 44591581

IUPACN-[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methoxy-4-methylbenzamide
SMILESCOc1cc(C)ccc1C(=O)Nc1ccc(-c2nc3ncccc3[nH]2)cc1
InChIInChI=1S/C21H18N4O2/c1-13-5-10-16(18(12-13)27-2)21(26)23-15-8-6-14(7-9-15)19-24-17-4-3-11-22-20(17)25-19/h3-12H,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyXZILYLNIOSHHAC-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.19
Rot. Bonds4

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

N-[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methoxy-4-methylbenzamide (PubChem CID 44591581) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methoxy-4-methylbenzamide
PubChem CID44591581
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC NameN-[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methoxy-4-methylbenzamide
SMILESCOc1cc(C)ccc1C(=O)Nc1ccc(-c2nc3ncccc3[nH]2)cc1
InChIInChI=1S/C21H18N4O2/c1-13-5-10-16(18(12-13)27-2)21(26)23-15-8-6-14(7-9-15)19-24-17-4-3-11-22-20(17)25-19/h3-12H,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyXZILYLNIOSHHAC-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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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methoxy-4-methylbenzamide?
The IUPAC name of N-[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methoxy-4-methylbenzamide (CID 44591581) is N-[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methoxy-4-methylbenzamide.
What is the SMILES notation for N-[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methoxy-4-methylbenzamide?
The canonical SMILES for N-[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methoxy-4-methylbenzamide is COc1cc(C)ccc1C(=O)Nc1ccc(-c2nc3ncccc3[nH]2)cc1.
What is the InChIKey of N-[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methoxy-4-methylbenzamide?
The InChIKey is XZILYLNIOSHHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-13-5-10-16(18(12-13)27-2)21(26)23-15-8-6-14(7-9-15)19-24-17-4-3-11-22-20(17)25-19/h3-12H,1-2H3,(H,23,26)(H,22,24,25).
What are the key properties of N-[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methoxy-4-methylbenzamide?
N-[4-(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-[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methoxy-4-methylbenzamide is sourced from PubChem (CID 44591581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).