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

C25H24N6O2 — CID 57398848

IUPACN-cyclopentyl-3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]benzamide
SMILESO=C(Nc1ccc(-c2ccnc3nc[nH]c23)cc1)Nc1cccc(C(=O)NC2CCCC2)c1
InChIInChI=1S/C25H24N6O2/c32-24(29-18-5-1-2-6-18)17-4-3-7-20(14-17)31-25(33)30-19-10-8-16(9-11-19)21-12-13-26-23-22(21)27-15-28-23/h3-4,7-15,18H,1-2,5-6H2,(H,29,32)(H,26,27,28)(H2,30,31,33)
InChIKeyYBIKJBVQOXSYEV-UHFFFAOYSA-N
MW440.51 g/mol
LogP4.94
Rot. Bonds5

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

N-cyclopentyl-3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]benzamide (PubChem CID 57398848) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is N-cyclopentyl-3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]benzamide
PubChem CID57398848
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC NameN-cyclopentyl-3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]benzamide
SMILESO=C(Nc1ccc(-c2ccnc3nc[nH]c23)cc1)Nc1cccc(C(=O)NC2CCCC2)c1
InChIInChI=1S/C25H24N6O2/c32-24(29-18-5-1-2-6-18)17-4-3-7-20(14-17)31-25(33)30-19-10-8-16(9-11-19)21-12-13-26-23-22(21)27-15-28-23/h3-4,7-15,18H,1-2,5-6H2,(H,29,32)(H,26,27,28)(H2,30,31,33)
InChIKeyYBIKJBVQOXSYEV-UHFFFAOYSA-N
XLogP4.94
TPSA111.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 54.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]benzamide?
The IUPAC name of N-cyclopentyl-3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]benzamide (CID 57398848) is N-cyclopentyl-3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]benzamide.
What is the SMILES notation for N-cyclopentyl-3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]benzamide?
The canonical SMILES for N-cyclopentyl-3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]benzamide is O=C(Nc1ccc(-c2ccnc3nc[nH]c23)cc1)Nc1cccc(C(=O)NC2CCCC2)c1.
What is the InChIKey of N-cyclopentyl-3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]benzamide?
The InChIKey is YBIKJBVQOXSYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2/c32-24(29-18-5-1-2-6-18)17-4-3-7-20(14-17)31-25(33)30-19-10-8-16(9-11-19)21-12-13-26-23-22(21)27-15-28-23/h3-4,7-15,18H,1-2,5-6H2,(H,29,32)(H,26,27,28)(H2,30,31,33).
What are the key properties of N-cyclopentyl-3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]benzamide?
N-cyclopentyl-3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]benzamide has a molecular weight of 440.51 g/mol, XLogP of 4.94, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]benzamide is sourced from PubChem (CID 57398848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).