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

C24H24N6O2 — CID 57395300

IUPACN,N-diethyl-3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)Nc2ccc(-c3ccnc4nc[nH]c34)cc2)c1
InChIInChI=1S/C24H24N6O2/c1-3-30(4-2)23(31)17-6-5-7-19(14-17)29-24(32)28-18-10-8-16(9-11-18)20-12-13-25-22-21(20)26-15-27-22/h5-15H,3-4H2,1-2H3,(H,25,26,27)(H2,28,29,32)
InChIKeyABZRQOXZIBNTTA-UHFFFAOYSA-N
MW428.50 g/mol
LogP4.75
Rot. Bonds6

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

N,N-diethyl-3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]benzamide (PubChem CID 57395300) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is N,N-diethyl-3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]benzamide
PubChem CID57395300
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC NameN,N-diethyl-3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)Nc2ccc(-c3ccnc4nc[nH]c34)cc2)c1
InChIInChI=1S/C24H24N6O2/c1-3-30(4-2)23(31)17-6-5-7-19(14-17)29-24(32)28-18-10-8-16(9-11-18)20-12-13-25-22-21(20)26-15-27-22/h5-15H,3-4H2,1-2H3,(H,25,26,27)(H2,28,29,32)
InChIKeyABZRQOXZIBNTTA-UHFFFAOYSA-N
XLogP4.75
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]benzamide?
The IUPAC name of N,N-diethyl-3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]benzamide (CID 57395300) is N,N-diethyl-3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]benzamide.
What is the SMILES notation for N,N-diethyl-3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]benzamide?
The canonical SMILES for N,N-diethyl-3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]benzamide is CCN(CC)C(=O)c1cccc(NC(=O)Nc2ccc(-c3ccnc4nc[nH]c34)cc2)c1.
What is the InChIKey of N,N-diethyl-3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]benzamide?
The InChIKey is ABZRQOXZIBNTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-3-30(4-2)23(31)17-6-5-7-19(14-17)29-24(32)28-18-10-8-16(9-11-18)20-12-13-25-22-21(20)26-15-27-22/h5-15H,3-4H2,1-2H3,(H,25,26,27)(H2,28,29,32).
What are the key properties of N,N-diethyl-3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]benzamide?
N,N-diethyl-3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]benzamide has a molecular weight of 428.50 g/mol, XLogP of 4.75, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]benzamide is sourced from PubChem (CID 57395300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).