4-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-methylbenzene-1,4-dicarboxamide

C25H20ClN5O2 — CID 70325323

IUPAC4-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-methylbenzene-1,4-dicarboxamide
SMILESCN(C(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1)c1ccc(N)nc1
InChIInChI=1S/C25H20ClN5O2/c1-31(19-10-12-23(27)29-15-19)25(33)17-7-5-16(6-8-17)24(32)30-18-9-11-21(26)20(14-18)22-4-2-3-13-28-22/h2-15H,1H3,(H2,27,29)(H,30,32)
InChIKeyXCNQWXPBIDTCQK-UHFFFAOYSA-N
MW457.92 g/mol
LogP4.91
Rot. Bonds5

About 4-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-methylbenzene-1,4-dicarboxamide

4-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-methylbenzene-1,4-dicarboxamide (PubChem CID 70325323) has the molecular formula C25H20ClN5O2 and a molecular weight of 457.92 g/mol. Its IUPAC name is 4-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-methylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-methylbenzene-1,4-dicarboxamide
PubChem CID70325323
Molecular FormulaC25H20ClN5O2
Molecular Weight457.92 g/mol
Exact Mass457.13
IUPAC Name4-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-methylbenzene-1,4-dicarboxamide
SMILESCN(C(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1)c1ccc(N)nc1
InChIInChI=1S/C25H20ClN5O2/c1-31(19-10-12-23(27)29-15-19)25(33)17-7-5-16(6-8-17)24(32)30-18-9-11-21(26)20(14-18)22-4-2-3-13-28-22/h2-15H,1H3,(H2,27,29)(H,30,32)
InChIKeyXCNQWXPBIDTCQK-UHFFFAOYSA-N
XLogP4.91
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.92
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-methylbenzene-1,4-dicarboxamide with MolForge

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Related Compounds

4-N-(6-amino-3-pyridinyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide
CID 58614771
4-(aminomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide
CID 66877992
4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]benzoic acid
CID 66877887
N-(4-chloro-3-pyridin-2-ylphenyl)-4-[4-(dimethylamino)butyl]benzamide
CID 58227039
[4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]phenyl]methylcarbamic acid
CID 141316203
6-(bromomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide
CID 66877640
1-[4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]phenyl]ethyl-oxosulfanium
CID 174102017
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methylsulfonylethyl)benzamide
CID 66878311
N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide
CID 58614711
3-amino-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide
CID 58614887
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(N'-hydroxycarbamimidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(methylsulfonylmethyl)pyridine-3-carboxamide
CID 158716830
N-(4-chloro-3-pyridin-2-ylphenyl)-6-(propylamino)pyridine-3-carboxamide
CID 170126154

Frequently Asked Questions

What is the IUPAC name of 4-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-methylbenzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-methylbenzene-1,4-dicarboxamide (CID 70325323) is 4-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-methylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-methylbenzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-methylbenzene-1,4-dicarboxamide is CN(C(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1)c1ccc(N)nc1.
What is the InChIKey of 4-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-methylbenzene-1,4-dicarboxamide?
The InChIKey is XCNQWXPBIDTCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN5O2/c1-31(19-10-12-23(27)29-15-19)25(33)17-7-5-16(6-8-17)24(32)30-18-9-11-21(26)20(14-18)22-4-2-3-13-28-22/h2-15H,1H3,(H2,27,29)(H,30,32).
What are the key properties of 4-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-methylbenzene-1,4-dicarboxamide?
4-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-methylbenzene-1,4-dicarboxamide has a molecular weight of 457.92 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-methylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 70325323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).