4-tert-butyl-N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]benzamide

C23H24ClN3O — CID 113012213

IUPAC4-tert-butyl-N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(NCc3ccccc3Cl)nc2)cc1
InChIInChI=1S/C23H24ClN3O/c1-23(2,3)18-10-8-16(9-11-18)22(28)27-19-12-13-21(26-15-19)25-14-17-6-4-5-7-20(17)24/h4-13,15H,14H2,1-3H3,(H,25,26)(H,27,28)
InChIKeyNVCKZUZPYVDBNP-UHFFFAOYSA-N
MW393.92 g/mol
LogP5.90
Rot. Bonds5

About 4-tert-butyl-N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]benzamide

4-tert-butyl-N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]benzamide (PubChem CID 113012213) has the molecular formula C23H24ClN3O and a molecular weight of 393.92 g/mol. Its IUPAC name is 4-tert-butyl-N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]benzamide
PubChem CID113012213
Molecular FormulaC23H24ClN3O
Molecular Weight393.92 g/mol
Exact Mass393.16
IUPAC Name4-tert-butyl-N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(NCc3ccccc3Cl)nc2)cc1
InChIInChI=1S/C23H24ClN3O/c1-23(2,3)18-10-8-16(9-11-18)22(28)27-19-12-13-21(26-15-19)25-14-17-6-4-5-7-20(17)24/h4-13,15H,14H2,1-3H3,(H,25,26)(H,27,28)
InChIKeyNVCKZUZPYVDBNP-UHFFFAOYSA-N
XLogP5.90
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.92
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]carbamate
CID 113012243
4-tert-butyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]benzamide
CID 113012677
4-methyl-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011554
N-(3-chlorophenyl)-6-[(2-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 109156799
N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]-3-methylbutanamide
CID 113012194
6-[(2-chlorophenyl)methylamino]-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109156789
N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3,4-dimethoxybenzamide
CID 113027190
N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]cyclobutanecarboxamide
CID 113012244
4-tert-butyl-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide
CID 113010730
6-[(2-chlorophenyl)methylamino]-N-(3-cyanophenyl)pyridine-3-carboxamide
CID 109156828
4-tert-butyl-N-[6-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]benzamide
CID 46053761
4-tert-butyl-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide
CID 113010472

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]benzamide (CID 113012213) is 4-tert-butyl-N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]benzamide is CC(C)(C)c1ccc(C(=O)Nc2ccc(NCc3ccccc3Cl)nc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]benzamide?
The InChIKey is NVCKZUZPYVDBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O/c1-23(2,3)18-10-8-16(9-11-18)22(28)27-19-12-13-21(26-15-19)25-14-17-6-4-5-7-20(17)24/h4-13,15H,14H2,1-3H3,(H,25,26)(H,27,28).
What are the key properties of 4-tert-butyl-N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]benzamide?
4-tert-butyl-N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]benzamide has a molecular weight of 393.92 g/mol, XLogP of 5.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]benzamide is sourced from PubChem (CID 113012213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).