N-(5-chloro-2-pyridinyl)-3-methyl-4-(propylamino)benzamide

C16H18ClN3O — CID 63210683

IUPACN-(5-chloro-2-pyridinyl)-3-methyl-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1C
InChIInChI=1S/C16H18ClN3O/c1-3-8-18-14-6-4-12(9-11(14)2)16(21)20-15-7-5-13(17)10-19-15/h4-7,9-10,18H,3,8H2,1-2H3,(H,19,20,21)
InChIKeyFGRBKWIYXYCBBP-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.12
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-3-methyl-4-(propylamino)benzamide

N-(5-chloro-2-pyridinyl)-3-methyl-4-(propylamino)benzamide (PubChem CID 63210683) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-methyl-4-(propylamino)benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3-methyl-4-(propylamino)benzamide
PubChem CID63210683
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC NameN-(5-chloro-2-pyridinyl)-3-methyl-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1C
InChIInChI=1S/C16H18ClN3O/c1-3-8-18-14-6-4-12(9-11(14)2)16(21)20-15-7-5-13(17)10-19-15/h4-7,9-10,18H,3,8H2,1-2H3,(H,19,20,21)
InChIKeyFGRBKWIYXYCBBP-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

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Related Compounds

N-(5-chloro-2-pyridinyl)-3-methoxy-4-methylbenzamide
CID 47122719
3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-(propylamino)benzamide
CID 63210151
N-(5-chloro-2-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107374336
N-(5-chloro-2-pyridinyl)-4-methyl-3-(4-phenylphenyl)benzamide
CID 90885243
3-methyl-4-(propylamino)-N-pyridin-3-ylbenzamide
CID 63210058
N-(5-chloro-2-pyridinyl)-2-(ethylamino)-5-methylbenzamide
CID 62508806
N-(5-chloro-2-methylphenyl)-6-(ethylamino)pyridine-3-carboxamide
CID 62184893
N-(4-chlorophenyl)-4-[2-(dimethylamino)ethylamino]-3-methylbenzamide
CID 175893681
N-(4-chlorophenyl)-6-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81238211
4-methyl-N-[5-(propylamino)-2-pyridinyl]benzamide
CID 113023427
N-(5-chloro-2-pyridinyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1217132
N-(5-chloro-2-pyridinyl)-4-(ethylamino)-3,5-difluorobenzamide
CID 63187369

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-3-methyl-4-(propylamino)benzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3-methyl-4-(propylamino)benzamide (CID 63210683) is N-(5-chloro-2-pyridinyl)-3-methyl-4-(propylamino)benzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-methyl-4-(propylamino)benzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-methyl-4-(propylamino)benzamide is CCCNc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1C.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-methyl-4-(propylamino)benzamide?
The InChIKey is FGRBKWIYXYCBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-3-8-18-14-6-4-12(9-11(14)2)16(21)20-15-7-5-13(17)10-19-15/h4-7,9-10,18H,3,8H2,1-2H3,(H,19,20,21).
What are the key properties of N-(5-chloro-2-pyridinyl)-3-methyl-4-(propylamino)benzamide?
N-(5-chloro-2-pyridinyl)-3-methyl-4-(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-(5-chloro-2-pyridinyl)-3-methyl-4-(propylamino)benzamide is sourced from PubChem (CID 63210683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).