N-phenyl-4-(pyridin-4-ylmethylcarbamoylamino)benzamide

C20H18N4O2 — CID 135223119

IUPACN-phenyl-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
SMILESO=C(NCc1ccncc1)Nc1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C20H18N4O2/c25-19(23-17-4-2-1-3-5-17)16-6-8-18(9-7-16)24-20(26)22-14-15-10-12-21-13-11-15/h1-13H,14H2,(H,23,25)(H2,22,24,26)
InChIKeyBAZZMKCPAKNFJS-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.66
Rot. Bonds5

About N-phenyl-4-(pyridin-4-ylmethylcarbamoylamino)benzamide

N-phenyl-4-(pyridin-4-ylmethylcarbamoylamino)benzamide (PubChem CID 135223119) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-phenyl-4-(pyridin-4-ylmethylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-phenyl-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
PubChem CID135223119
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC NameN-phenyl-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
SMILESO=C(NCc1ccncc1)Nc1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C20H18N4O2/c25-19(23-17-4-2-1-3-5-17)16-6-8-18(9-7-16)24-20(26)22-14-15-10-12-21-13-11-15/h1-13H,14H2,(H,23,25)(H2,22,24,26)
InChIKeyBAZZMKCPAKNFJS-UHFFFAOYSA-N
XLogP3.66
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenylethyl)-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 135231352
1-(4-acetylphenyl)-3-(pyridin-4-ylmethyl)urea
CID 971154
N-[(2,6-dichlorophenyl)methyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 171778259
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 135231273
N-[(2,6-difluorophenyl)methyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 171778426
N-[(3,5-difluorophenyl)methyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 171778558
4-N-(4-methylphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047754
N-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 135222520
N-[(3-bromophenyl)methyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 171778314
1-(pyridin-4-ylmethyl)-3-(4-sulfanylphenyl)urea
CID 135231096
N-[2-(4-fluorophenyl)ethyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 135231083
N-ethyl-4-[4-(pyridin-4-ylmethylcarbamoylamino)phenyl]sulfonylbenzamide
CID 164515186

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-(pyridin-4-ylmethylcarbamoylamino)benzamide?
The IUPAC name of N-phenyl-4-(pyridin-4-ylmethylcarbamoylamino)benzamide (CID 135223119) is N-phenyl-4-(pyridin-4-ylmethylcarbamoylamino)benzamide.
What is the SMILES notation for N-phenyl-4-(pyridin-4-ylmethylcarbamoylamino)benzamide?
The canonical SMILES for N-phenyl-4-(pyridin-4-ylmethylcarbamoylamino)benzamide is O=C(NCc1ccncc1)Nc1ccc(C(=O)Nc2ccccc2)cc1.
What is the InChIKey of N-phenyl-4-(pyridin-4-ylmethylcarbamoylamino)benzamide?
The InChIKey is BAZZMKCPAKNFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c25-19(23-17-4-2-1-3-5-17)16-6-8-18(9-7-16)24-20(26)22-14-15-10-12-21-13-11-15/h1-13H,14H2,(H,23,25)(H2,22,24,26).
What are the key properties of N-phenyl-4-(pyridin-4-ylmethylcarbamoylamino)benzamide?
N-phenyl-4-(pyridin-4-ylmethylcarbamoylamino)benzamide has a molecular weight of 346.39 g/mol, XLogP of 3.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-(pyridin-4-ylmethylcarbamoylamino)benzamide is sourced from PubChem (CID 135223119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).