N-propan-2-yl-3-[(4-pyridin-4-ylphenyl)carbamoylamino]benzamide

C22H22N4O2 — CID 57398809

IUPACN-propan-2-yl-3-[(4-pyridin-4-ylphenyl)carbamoylamino]benzamide
SMILESCC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(-c3ccncc3)cc2)c1
InChIInChI=1S/C22H22N4O2/c1-15(2)24-21(27)18-4-3-5-20(14-18)26-22(28)25-19-8-6-16(7-9-19)17-10-12-23-13-11-17/h3-15H,1-2H3,(H,24,27)(H2,25,26,28)
InChIKeyWJTBCUZNVGPRTM-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.53
Rot. Bonds5

About N-propan-2-yl-3-[(4-pyridin-4-ylphenyl)carbamoylamino]benzamide

N-propan-2-yl-3-[(4-pyridin-4-ylphenyl)carbamoylamino]benzamide (PubChem CID 57398809) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-propan-2-yl-3-[(4-pyridin-4-ylphenyl)carbamoylamino]benzamide.

Molecular Properties

Compound NameN-propan-2-yl-3-[(4-pyridin-4-ylphenyl)carbamoylamino]benzamide
PubChem CID57398809
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-propan-2-yl-3-[(4-pyridin-4-ylphenyl)carbamoylamino]benzamide
SMILESCC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(-c3ccncc3)cc2)c1
InChIInChI=1S/C22H22N4O2/c1-15(2)24-21(27)18-4-3-5-20(14-18)26-22(28)25-19-8-6-16(7-9-19)17-10-12-23-13-11-17/h3-15H,1-2H3,(H,24,27)(H2,25,26,28)
InChIKeyWJTBCUZNVGPRTM-UHFFFAOYSA-N
XLogP4.53
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-[(4-pyridin-4-ylphenyl)carbamoylamino]benzamide?
The IUPAC name of N-propan-2-yl-3-[(4-pyridin-4-ylphenyl)carbamoylamino]benzamide (CID 57398809) is N-propan-2-yl-3-[(4-pyridin-4-ylphenyl)carbamoylamino]benzamide.
What is the SMILES notation for N-propan-2-yl-3-[(4-pyridin-4-ylphenyl)carbamoylamino]benzamide?
The canonical SMILES for N-propan-2-yl-3-[(4-pyridin-4-ylphenyl)carbamoylamino]benzamide is CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(-c3ccncc3)cc2)c1.
What is the InChIKey of N-propan-2-yl-3-[(4-pyridin-4-ylphenyl)carbamoylamino]benzamide?
The InChIKey is WJTBCUZNVGPRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-15(2)24-21(27)18-4-3-5-20(14-18)26-22(28)25-19-8-6-16(7-9-19)17-10-12-23-13-11-17/h3-15H,1-2H3,(H,24,27)(H2,25,26,28).
What are the key properties of N-propan-2-yl-3-[(4-pyridin-4-ylphenyl)carbamoylamino]benzamide?
N-propan-2-yl-3-[(4-pyridin-4-ylphenyl)carbamoylamino]benzamide has a molecular weight of 374.44 g/mol, XLogP of 4.53, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-[(4-pyridin-4-ylphenyl)carbamoylamino]benzamide is sourced from PubChem (CID 57398809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).