N-(2-chloro-4-methyl-3-pyridinyl)-2-(propylamino)benzamide

C16H18ClN3O — CID 65489901

IUPACN-(2-chloro-4-methyl-3-pyridinyl)-2-(propylamino)benzamide
SMILESCCCNc1ccccc1C(=O)Nc1c(C)ccnc1Cl
InChIInChI=1S/C16H18ClN3O/c1-3-9-18-13-7-5-4-6-12(13)16(21)20-14-11(2)8-10-19-15(14)17/h4-8,10,18H,3,9H2,1-2H3,(H,20,21)
InChIKeyAHUCUZYEJRIKSP-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.12
Rot. Bonds5

About N-(2-chloro-4-methyl-3-pyridinyl)-2-(propylamino)benzamide

N-(2-chloro-4-methyl-3-pyridinyl)-2-(propylamino)benzamide (PubChem CID 65489901) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is N-(2-chloro-4-methyl-3-pyridinyl)-2-(propylamino)benzamide.

Molecular Properties

Compound NameN-(2-chloro-4-methyl-3-pyridinyl)-2-(propylamino)benzamide
PubChem CID65489901
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC NameN-(2-chloro-4-methyl-3-pyridinyl)-2-(propylamino)benzamide
SMILESCCCNc1ccccc1C(=O)Nc1c(C)ccnc1Cl
InChIInChI=1S/C16H18ClN3O/c1-3-9-18-13-7-5-4-6-12(13)16(21)20-14-11(2)8-10-19-15(14)17/h4-8,10,18H,3,9H2,1-2H3,(H,20,21)
InChIKeyAHUCUZYEJRIKSP-UHFFFAOYSA-N
XLogP4.12
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4-methyl-3-pyridinyl)-2-iodobenzamide
CID 65488908
N-(4-chloro-2-methylphenyl)-2-(propylamino)benzamide
CID 63107746
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(propylamino)benzamide
CID 62167844
N-(3-chloro-2-methylphenyl)-2-(propylamino)benzamide
CID 62186612
N-(4-methylphenyl)-2-(propylamino)benzamide
CID 62166798
N-(2-fluorophenyl)-2-(propylamino)benzamide
CID 62166035
N-(2-chloro-4-methyl-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558700
(2-chloro-4-methyl-3-pyridinyl)carbamic acid
CID 88545589
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(propylamino)benzamide
CID 104619421
N-(3-methylphenyl)-2-(propylamino)benzamide
CID 62171242
N-(2-bromo-5-chlorophenyl)-2-(propylamino)benzamide
CID 81280415
ethyl N-(2-chloro-4-methyl-3-pyridinyl)carbamate
CID 65490501

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methyl-3-pyridinyl)-2-(propylamino)benzamide?
The IUPAC name of N-(2-chloro-4-methyl-3-pyridinyl)-2-(propylamino)benzamide (CID 65489901) is N-(2-chloro-4-methyl-3-pyridinyl)-2-(propylamino)benzamide.
What is the SMILES notation for N-(2-chloro-4-methyl-3-pyridinyl)-2-(propylamino)benzamide?
The canonical SMILES for N-(2-chloro-4-methyl-3-pyridinyl)-2-(propylamino)benzamide is CCCNc1ccccc1C(=O)Nc1c(C)ccnc1Cl.
What is the InChIKey of N-(2-chloro-4-methyl-3-pyridinyl)-2-(propylamino)benzamide?
The InChIKey is AHUCUZYEJRIKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-3-9-18-13-7-5-4-6-12(13)16(21)20-14-11(2)8-10-19-15(14)17/h4-8,10,18H,3,9H2,1-2H3,(H,20,21).
What are the key properties of N-(2-chloro-4-methyl-3-pyridinyl)-2-(propylamino)benzamide?
N-(2-chloro-4-methyl-3-pyridinyl)-2-(propylamino)benzamide has a molecular weight of 303.79 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methyl-3-pyridinyl)-2-(propylamino)benzamide is sourced from PubChem (CID 65489901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).