N-(4-chloro-2-methylphenyl)-4-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide

C17H21ClN4O — CID 109207368

IUPACN-(4-chloro-2-methylphenyl)-4-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cc(NCCN(C)C)ccn1
InChIInChI=1S/C17H21ClN4O/c1-12-10-13(18)4-5-15(12)21-17(23)16-11-14(6-7-20-16)19-8-9-22(2)3/h4-7,10-11H,8-9H2,1-3H3,(H,19,20)(H,21,23)
InChIKeyKQONAGNKJHWOCI-UHFFFAOYSA-N
MW332.84 g/mol
LogP3.27
Rot. Bonds6

About N-(4-chloro-2-methylphenyl)-4-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide

N-(4-chloro-2-methylphenyl)-4-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide (PubChem CID 109207368) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-4-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-4-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
PubChem CID109207368
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC NameN-(4-chloro-2-methylphenyl)-4-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cc(NCCN(C)C)ccn1
InChIInChI=1S/C17H21ClN4O/c1-12-10-13(18)4-5-15(12)21-17(23)16-11-14(6-7-20-16)19-8-9-22(2)3/h4-7,10-11H,8-9H2,1-3H3,(H,19,20)(H,21,23)
InChIKeyKQONAGNKJHWOCI-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-4-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109207365
4-[2-(dimethylamino)ethylamino]-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
CID 109207345
N-(2,4-difluorophenyl)-4-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109207420
N-(2,4-difluorophenyl)-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109208033
methyl 2-[[4-[2-(dimethylamino)ethylamino]pyridine-2-carbonyl]amino]benzoate
CID 109207394
4-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109207266
N-(5-chloro-2-methylphenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109206310
N-(4-bromo-2-methylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62186935
N-(2,4-dichlorophenyl)-4-(2-methoxyethylamino)pyridine-2-carboxamide
CID 109206008
4-[2-(4-chlorophenyl)ethylamino]-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109215473
4-[2-(dimethylamino)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109207358
4-chloro-N-(4-iodo-2-methylphenyl)pyridine-2-carboxamide
CID 60656369

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-4-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-4-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide (CID 109207368) is N-(4-chloro-2-methylphenyl)-4-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-4-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-4-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide is Cc1cc(Cl)ccc1NC(=O)c1cc(NCCN(C)C)ccn1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-4-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide?
The InChIKey is KQONAGNKJHWOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-12-10-13(18)4-5-15(12)21-17(23)16-11-14(6-7-20-16)19-8-9-22(2)3/h4-7,10-11H,8-9H2,1-3H3,(H,19,20)(H,21,23).
What are the key properties of N-(4-chloro-2-methylphenyl)-4-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide?
N-(4-chloro-2-methylphenyl)-4-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide has a molecular weight of 332.84 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-4-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109207368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).