3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]-N,N-di(propan-2-yl)benzamide

C26H28N6O2 — CID 57400524

IUPAC3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1cccc(NC(=O)Nc2ccc(-c3ccnc4nc[nH]c34)cc2)c1)C(C)C
InChIInChI=1S/C26H28N6O2/c1-16(2)32(17(3)4)25(33)19-6-5-7-21(14-19)31-26(34)30-20-10-8-18(9-11-20)22-12-13-27-24-23(22)28-15-29-24/h5-17H,1-4H3,(H,27,28,29)(H2,30,31,34)
InChIKeySXQGGECXWPMBCY-UHFFFAOYSA-N
MW456.55 g/mol
LogP5.53
Rot. Bonds6

About 3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]-N,N-di(propan-2-yl)benzamide

3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]-N,N-di(propan-2-yl)benzamide (PubChem CID 57400524) has the molecular formula C26H28N6O2 and a molecular weight of 456.55 g/mol. Its IUPAC name is 3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]-N,N-di(propan-2-yl)benzamide.

Molecular Properties

Compound Name3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]-N,N-di(propan-2-yl)benzamide
PubChem CID57400524
Molecular FormulaC26H28N6O2
Molecular Weight456.55 g/mol
Exact Mass456.23
IUPAC Name3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1cccc(NC(=O)Nc2ccc(-c3ccnc4nc[nH]c34)cc2)c1)C(C)C
InChIInChI=1S/C26H28N6O2/c1-16(2)32(17(3)4)25(33)19-6-5-7-21(14-19)31-26(34)30-20-10-8-18(9-11-20)22-12-13-27-24-23(22)28-15-29-24/h5-17H,1-4H3,(H,27,28,29)(H2,30,31,34)
InChIKeySXQGGECXWPMBCY-UHFFFAOYSA-N
XLogP5.53
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.55
LogP ≤ 55.53
H-Bond Donors ≤ 53
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,N-di(propan-2-yl)benzamide?
The IUPAC name of 3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]-N,N-di(propan-2-yl)benzamide (CID 57400524) is 3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]-N,N-di(propan-2-yl)benzamide.
What is the SMILES notation for 3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]-N,N-di(propan-2-yl)benzamide?
The canonical SMILES for 3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]-N,N-di(propan-2-yl)benzamide is CC(C)N(C(=O)c1cccc(NC(=O)Nc2ccc(-c3ccnc4nc[nH]c34)cc2)c1)C(C)C.
What is the InChIKey of 3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]-N,N-di(propan-2-yl)benzamide?
The InChIKey is SXQGGECXWPMBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2/c1-16(2)32(17(3)4)25(33)19-6-5-7-21(14-19)31-26(34)30-20-10-8-18(9-11-20)22-12-13-27-24-23(22)28-15-29-24/h5-17H,1-4H3,(H,27,28,29)(H2,30,31,34).
What are the key properties of 3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]-N,N-di(propan-2-yl)benzamide?
3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]-N,N-di(propan-2-yl)benzamide has a molecular weight of 456.55 g/mol, XLogP of 5.53, 6 rotatable bonds, 3 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,N-di(propan-2-yl)benzamide is sourced from PubChem (CID 57400524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).