5-N-[4-(benzylamino)-3-chlorophenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide

C23H23ClN4O2 — CID 86892702

IUPAC5-N-[4-(benzylamino)-3-chlorophenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
SMILESCc1nc(C(=O)N(C)C)ccc1C(=O)Nc1ccc(NCc2ccccc2)c(Cl)c1
InChIInChI=1S/C23H23ClN4O2/c1-15-18(10-12-21(26-15)23(30)28(2)3)22(29)27-17-9-11-20(19(24)13-17)25-14-16-7-5-4-6-8-16/h4-13,25H,14H2,1-3H3,(H,27,29)
InChIKeyRBKMADIPLSXZGB-UHFFFAOYSA-N
MW422.92 g/mol
LogP4.61
Rot. Bonds6

About 5-N-[4-(benzylamino)-3-chlorophenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide

5-N-[4-(benzylamino)-3-chlorophenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide (PubChem CID 86892702) has the molecular formula C23H23ClN4O2 and a molecular weight of 422.92 g/mol. Its IUPAC name is 5-N-[4-(benzylamino)-3-chlorophenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[4-(benzylamino)-3-chlorophenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
PubChem CID86892702
Molecular FormulaC23H23ClN4O2
Molecular Weight422.92 g/mol
Exact Mass422.15
IUPAC Name5-N-[4-(benzylamino)-3-chlorophenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
SMILESCc1nc(C(=O)N(C)C)ccc1C(=O)Nc1ccc(NCc2ccccc2)c(Cl)c1
InChIInChI=1S/C23H23ClN4O2/c1-15-18(10-12-21(26-15)23(30)28(2)3)22(29)27-17-9-11-20(19(24)13-17)25-14-16-7-5-4-6-8-16/h4-13,25H,14H2,1-3H3,(H,27,29)
InChIKeyRBKMADIPLSXZGB-UHFFFAOYSA-N
XLogP4.61
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.92
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(benzylamino)-3-chlorophenyl]-3-methyltriazole-4-carboxamide
CID 136540023
5-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
CID 86890270
5-N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
CID 86890345
N-[4-(benzylamino)-3-chlorophenyl]-5-methyl-4-nitro-1H-pyrazole-3-carboxamide
CID 60614094
N-[4-(benzylamino)-3-chlorophenyl]-2-hydroxy-3-methoxy-2-methylpropanamide
CID 75378411
N-(3-benzamido-4-chlorophenyl)-6-chloro-2-methylpyridine-3-carboxamide
CID 16730950
2-(benzylamino)-N-(3,4-dichlorophenyl)pyrimidine-4-carboxamide
CID 109303727
5-N-[4-(2-cyanophenoxy)phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
CID 86890386
5-[(3-chlorophenyl)methylamino]-6-methylpyridine-2-carboxylic acid
CID 12640232
N-(4-amino-3,5-dichlorophenyl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 55464176
N-(4-acetamido-3-chlorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 25470751
2-(benzylamino)-N-(4-chloro-3-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 50848207

Frequently Asked Questions

What is the IUPAC name of 5-N-[4-(benzylamino)-3-chlorophenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide?
The IUPAC name of 5-N-[4-(benzylamino)-3-chlorophenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide (CID 86892702) is 5-N-[4-(benzylamino)-3-chlorophenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide.
What is the SMILES notation for 5-N-[4-(benzylamino)-3-chlorophenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide?
The canonical SMILES for 5-N-[4-(benzylamino)-3-chlorophenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide is Cc1nc(C(=O)N(C)C)ccc1C(=O)Nc1ccc(NCc2ccccc2)c(Cl)c1.
What is the InChIKey of 5-N-[4-(benzylamino)-3-chlorophenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide?
The InChIKey is RBKMADIPLSXZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O2/c1-15-18(10-12-21(26-15)23(30)28(2)3)22(29)27-17-9-11-20(19(24)13-17)25-14-16-7-5-4-6-8-16/h4-13,25H,14H2,1-3H3,(H,27,29).
What are the key properties of 5-N-[4-(benzylamino)-3-chlorophenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide?
5-N-[4-(benzylamino)-3-chlorophenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide has a molecular weight of 422.92 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[4-(benzylamino)-3-chlorophenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide is sourced from PubChem (CID 86892702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).