3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]-N-methylbenzamide

C21H18N6O2 — CID 57397068

IUPAC3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)Nc2ccc(-c3ccnc4nc[nH]c34)cc2)c1
InChIInChI=1S/C21H18N6O2/c1-22-20(28)14-3-2-4-16(11-14)27-21(29)26-15-7-5-13(6-8-15)17-9-10-23-19-18(17)24-12-25-19/h2-12H,1H3,(H,22,28)(H,23,24,25)(H2,26,27,29)
InChIKeyJWSOACJPVMVQGH-UHFFFAOYSA-N
MW386.42 g/mol
LogP3.63
Rot. Bonds4

About 3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]-N-methylbenzamide

3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]-N-methylbenzamide (PubChem CID 57397068) has the molecular formula C21H18N6O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is 3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]-N-methylbenzamide
PubChem CID57397068
Molecular FormulaC21H18N6O2
Molecular Weight386.42 g/mol
Exact Mass386.15
IUPAC Name3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)Nc2ccc(-c3ccnc4nc[nH]c34)cc2)c1
InChIInChI=1S/C21H18N6O2/c1-22-20(28)14-3-2-4-16(11-14)27-21(29)26-15-7-5-13(6-8-15)17-9-10-23-19-18(17)24-12-25-19/h2-12H,1H3,(H,22,28)(H,23,24,25)(H2,26,27,29)
InChIKeyJWSOACJPVMVQGH-UHFFFAOYSA-N
XLogP3.63
TPSA111.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 53.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]-N-methylbenzamide?
The IUPAC name of 3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]-N-methylbenzamide (CID 57397068) is 3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]-N-methylbenzamide.
What is the SMILES notation for 3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]-N-methylbenzamide?
The canonical SMILES for 3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]-N-methylbenzamide is CNC(=O)c1cccc(NC(=O)Nc2ccc(-c3ccnc4nc[nH]c34)cc2)c1.
What is the InChIKey of 3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]-N-methylbenzamide?
The InChIKey is JWSOACJPVMVQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O2/c1-22-20(28)14-3-2-4-16(11-14)27-21(29)26-15-7-5-13(6-8-15)17-9-10-23-19-18(17)24-12-25-19/h2-12H,1H3,(H,22,28)(H,23,24,25)(H2,26,27,29).
What are the key properties of 3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]-N-methylbenzamide?
3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]-N-methylbenzamide has a molecular weight of 386.42 g/mol, XLogP of 3.63, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]-N-methylbenzamide is sourced from PubChem (CID 57397068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).