N-(3-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide

C17H20ClN3O — CID 109225036

IUPACN-(3-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cncc(NCC(C)C)c1
InChIInChI=1S/C17H20ClN3O/c1-11(2)8-20-14-7-13(9-19-10-14)17(22)21-16-6-4-5-15(18)12(16)3/h4-7,9-11,20H,8H2,1-3H3,(H,21,22)
InChIKeyIHUVBXDZNLIWDV-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.36
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide

N-(3-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide (PubChem CID 109225036) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide
PubChem CID109225036
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC NameN-(3-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cncc(NCC(C)C)c1
InChIInChI=1S/C17H20ClN3O/c1-11(2)8-20-14-7-13(9-19-10-14)17(22)21-16-6-4-5-15(18)12(16)3/h4-7,9-11,20H,8H2,1-3H3,(H,21,22)
InChIKeyIHUVBXDZNLIWDV-UHFFFAOYSA-N
XLogP4.36
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide
CID 109225020
methyl 4-chloro-3-[[5-(2-methylpropylamino)pyridine-3-carbonyl]amino]benzoate
CID 109225067
5-N-(3-chloro-2-methylphenyl)-3-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109108471
5-(3-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109244694
N-(2-methyl-6-propan-2-ylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide
CID 109225028
5-N-(2,3-dimethylphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide
CID 109102194
N-(3-cyanophenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide
CID 109225107
3-N-butyl-5-N-(3-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109102023
N-(4-bromo-3-methylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide
CID 109225084
N-(2,3-dichlorophenyl)-5-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide
CID 109229435
5-(benzylamino)-N-(2-chlorophenyl)pyridine-3-carboxamide
CID 109231871
N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide;hydrochloride
CID 110756419

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide (CID 109225036) is N-(3-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide is Cc1c(Cl)cccc1NC(=O)c1cncc(NCC(C)C)c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide?
The InChIKey is IHUVBXDZNLIWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-11(2)8-20-14-7-13(9-19-10-14)17(22)21-16-6-4-5-15(18)12(16)3/h4-7,9-11,20H,8H2,1-3H3,(H,21,22).
What are the key properties of N-(3-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide?
N-(3-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide has a molecular weight of 317.82 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109225036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).