N-benzyl-6-[3-(2-chlorobenzoyl)-1,3-diazinan-1-yl]pyridine-3-carboxamide

C24H23ClN4O2 — CID 69399658

IUPACN-benzyl-6-[3-(2-chlorobenzoyl)-1,3-diazinan-1-yl]pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(N2CCCN(C(=O)c3ccccc3Cl)C2)nc1
InChIInChI=1S/C24H23ClN4O2/c25-21-10-5-4-9-20(21)24(31)29-14-6-13-28(17-29)22-12-11-19(16-26-22)23(30)27-15-18-7-2-1-3-8-18/h1-5,7-12,16H,6,13-15,17H2,(H,27,30)
InChIKeyANOYABWQOIUHEU-UHFFFAOYSA-N
MW434.93 g/mol
LogP3.97
Rot. Bonds5

About N-benzyl-6-[3-(2-chlorobenzoyl)-1,3-diazinan-1-yl]pyridine-3-carboxamide

N-benzyl-6-[3-(2-chlorobenzoyl)-1,3-diazinan-1-yl]pyridine-3-carboxamide (PubChem CID 69399658) has the molecular formula C24H23ClN4O2 and a molecular weight of 434.93 g/mol. Its IUPAC name is N-benzyl-6-[3-(2-chlorobenzoyl)-1,3-diazinan-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-[3-(2-chlorobenzoyl)-1,3-diazinan-1-yl]pyridine-3-carboxamide
PubChem CID69399658
Molecular FormulaC24H23ClN4O2
Molecular Weight434.93 g/mol
Exact Mass434.15
IUPAC NameN-benzyl-6-[3-(2-chlorobenzoyl)-1,3-diazinan-1-yl]pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(N2CCCN(C(=O)c3ccccc3Cl)C2)nc1
InChIInChI=1S/C24H23ClN4O2/c25-21-10-5-4-9-20(21)24(31)29-14-6-13-28(17-29)22-12-11-19(16-26-22)23(30)27-15-18-7-2-1-3-8-18/h1-5,7-12,16H,6,13-15,17H2,(H,27,30)
InChIKeyANOYABWQOIUHEU-UHFFFAOYSA-N
XLogP3.97
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.93
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-6-[3-(2-chlorobenzoyl)-1,3-diazinan-1-yl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[3-(2-chlorobenzoyl)-1,3-diazinan-1-yl]-N-cyclopropylpyridine-3-carboxamide
CID 69399827
N-benzyl-6-[3-(2-chlorobenzoyl)-2,4-dihydropyrimidin-1-yl]pyridine-3-carboxamide
CID 69399659
N-propyl-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridine-3-carboxamide
CID 69399821
N-benzyl-6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 109155580
N-benzyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 109155589
6-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(4-phenylbutyl)pyridine-3-carboxamide
CID 68738018
1-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 36513862
N-ethyl-6-[3-[2-fluoro-6-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridine-3-carboxamide
CID 69399829
6-(1-phenylethoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 47054518
6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109158129
4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528026
[6-(azepan-1-yl)-3-pyridinyl]-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 112818698

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-[3-(2-chlorobenzoyl)-1,3-diazinan-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-benzyl-6-[3-(2-chlorobenzoyl)-1,3-diazinan-1-yl]pyridine-3-carboxamide (CID 69399658) is N-benzyl-6-[3-(2-chlorobenzoyl)-1,3-diazinan-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-[3-(2-chlorobenzoyl)-1,3-diazinan-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-6-[3-(2-chlorobenzoyl)-1,3-diazinan-1-yl]pyridine-3-carboxamide is O=C(NCc1ccccc1)c1ccc(N2CCCN(C(=O)c3ccccc3Cl)C2)nc1.
What is the InChIKey of N-benzyl-6-[3-(2-chlorobenzoyl)-1,3-diazinan-1-yl]pyridine-3-carboxamide?
The InChIKey is ANOYABWQOIUHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O2/c25-21-10-5-4-9-20(21)24(31)29-14-6-13-28(17-29)22-12-11-19(16-26-22)23(30)27-15-18-7-2-1-3-8-18/h1-5,7-12,16H,6,13-15,17H2,(H,27,30).
What are the key properties of N-benzyl-6-[3-(2-chlorobenzoyl)-1,3-diazinan-1-yl]pyridine-3-carboxamide?
N-benzyl-6-[3-(2-chlorobenzoyl)-1,3-diazinan-1-yl]pyridine-3-carboxamide has a molecular weight of 434.93 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-[3-(2-chlorobenzoyl)-1,3-diazinan-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 69399658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).