4-N-(3-chlorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide

C20H16ClN3O2 — CID 109047778

IUPAC4-N-(3-chlorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
SMILESO=C(NCc1ccncc1)c1ccc(C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C20H16ClN3O2/c21-17-2-1-3-18(12-17)24-20(26)16-6-4-15(5-7-16)19(25)23-13-14-8-10-22-11-9-14/h1-12H,13H2,(H,23,25)(H,24,26)
InChIKeyOPPALEQFKCSCCF-UHFFFAOYSA-N
MW365.82 g/mol
LogP3.92
Rot. Bonds5

About 4-N-(3-chlorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide

4-N-(3-chlorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide (PubChem CID 109047778) has the molecular formula C20H16ClN3O2 and a molecular weight of 365.82 g/mol. Its IUPAC name is 4-N-(3-chlorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-chlorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
PubChem CID109047778
Molecular FormulaC20H16ClN3O2
Molecular Weight365.82 g/mol
Exact Mass365.09
IUPAC Name4-N-(3-chlorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
SMILESO=C(NCc1ccncc1)c1ccc(C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C20H16ClN3O2/c21-17-2-1-3-18(12-17)24-20(26)16-6-4-15(5-7-16)19(25)23-13-14-8-10-22-11-9-14/h1-12H,13H2,(H,23,25)(H,24,26)
InChIKeyOPPALEQFKCSCCF-UHFFFAOYSA-N
XLogP3.92
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(4-chlorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055212
N-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide
CID 166187411
3-chloro-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
CID 112983148
4-N-(4-methylphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047754
2-N-(3-chlorophenyl)-4-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086529
2-N-(3-chlorophenyl)-4-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085894
N-[(2,6-dichlorophenyl)methyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 171778259
N-[3-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 47064649
N-phenyl-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 135223119
1-N-(pyridin-4-ylmethyl)-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109055233
1-N-(3-chlorophenyl)-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109055552
3-N-(2-chlorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055210

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chlorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(3-chlorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide (CID 109047778) is 4-N-(3-chlorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-chlorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(3-chlorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide is O=C(NCc1ccncc1)c1ccc(C(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of 4-N-(3-chlorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide?
The InChIKey is OPPALEQFKCSCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O2/c21-17-2-1-3-18(12-17)24-20(26)16-6-4-15(5-7-16)19(25)23-13-14-8-10-22-11-9-14/h1-12H,13H2,(H,23,25)(H,24,26).
What are the key properties of 4-N-(3-chlorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide?
4-N-(3-chlorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide has a molecular weight of 365.82 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chlorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109047778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).