5-(3-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide

C17H21ClN4O — CID 109229190

IUPAC5-(3-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
SMILESCc1c(Cl)cccc1Nc1cncc(C(=O)NCCN(C)C)c1
InChIInChI=1S/C17H21ClN4O/c1-12-15(18)5-4-6-16(12)21-14-9-13(10-19-11-14)17(23)20-7-8-22(2)3/h4-6,9-11,21H,7-8H2,1-3H3,(H,20,23)
InChIKeyAUQLGHCBBIJFRX-UHFFFAOYSA-N
MW332.84 g/mol
LogP3.08
Rot. Bonds6

About 5-(3-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide

5-(3-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide (PubChem CID 109229190) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is 5-(3-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
PubChem CID109229190
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC Name5-(3-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
SMILESCc1c(Cl)cccc1Nc1cncc(C(=O)NCCN(C)C)c1
InChIInChI=1S/C17H21ClN4O/c1-12-15(18)5-4-6-16(12)21-14-9-13(10-19-11-14)17(23)20-7-8-22(2)3/h4-6,9-11,21H,7-8H2,1-3H3,(H,20,23)
InChIKeyAUQLGHCBBIJFRX-UHFFFAOYSA-N
XLogP3.08
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-5-(3-chloro-2-methylanilino)pyridine-3-carboxamide
CID 109231717
methyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]amino]benzoate
CID 109229218
5-(3,5-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
CID 109229253
5-(2,3-dichloroanilino)-N-propylpyridine-3-carboxamide
CID 109222945
N-(2,3-dichlorophenyl)-5-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide
CID 109229435
5-(2,4-difluoroanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
CID 109229244
N-[3-(dimethylamino)propyl]-5-(2,5-dimethylanilino)pyridine-3-carboxamide
CID 109229797
3-N-butyl-5-N-(3-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109102023
5-(3-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109244694
N-[2-(dimethylamino)ethyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109229098
3-N-(3-chloro-2-methylphenyl)-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109053440
5-[(4-chlorophenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
CID 20959980

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-(3-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide (CID 109229190) is 5-(3-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(3-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(3-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide is Cc1c(Cl)cccc1Nc1cncc(C(=O)NCCN(C)C)c1.
What is the InChIKey of 5-(3-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide?
The InChIKey is AUQLGHCBBIJFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-12-15(18)5-4-6-16(12)21-14-9-13(10-19-11-14)17(23)20-7-8-22(2)3/h4-6,9-11,21H,7-8H2,1-3H3,(H,20,23).
What are the key properties of 5-(3-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide?
5-(3-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide has a molecular weight of 332.84 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 109229190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).