N-[2-(dimethylamino)ethyl]-4-(2,4-dimethylanilino)pyridine-2-carboxamide

C18H24N4O — CID 109207165

IUPACN-[2-(dimethylamino)ethyl]-4-(2,4-dimethylanilino)pyridine-2-carboxamide
SMILESCc1ccc(Nc2ccnc(C(=O)NCCN(C)C)c2)c(C)c1
InChIInChI=1S/C18H24N4O/c1-13-5-6-16(14(2)11-13)21-15-7-8-19-17(12-15)18(23)20-9-10-22(3)4/h5-8,11-12H,9-10H2,1-4H3,(H,19,21)(H,20,23)
InChIKeyGGYPDPARQHEHIV-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.73
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-4-(2,4-dimethylanilino)pyridine-2-carboxamide

N-[2-(dimethylamino)ethyl]-4-(2,4-dimethylanilino)pyridine-2-carboxamide (PubChem CID 109207165) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-(2,4-dimethylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-(2,4-dimethylanilino)pyridine-2-carboxamide
PubChem CID109207165
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-[2-(dimethylamino)ethyl]-4-(2,4-dimethylanilino)pyridine-2-carboxamide
SMILESCc1ccc(Nc2ccnc(C(=O)NCCN(C)C)c2)c(C)c1
InChIInChI=1S/C18H24N4O/c1-13-5-6-16(14(2)11-13)21-15-7-8-19-17(12-15)18(23)20-9-10-22(3)4/h5-8,11-12H,9-10H2,1-4H3,(H,19,21)(H,20,23)
InChIKeyGGYPDPARQHEHIV-UHFFFAOYSA-N
XLogP2.73
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-bromo-4-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109207857
N-[2-(dimethylamino)ethyl]-6-(2,4-dimethylanilino)pyridazine-3-carboxamide
CID 109115407
4-(2-tert-butylanilino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 109207180
4-(2,4-dimethylanilino)pyridine-2-carboxylic acid
CID 43326120
4-(2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212181
4-[2-(dimethylamino)ethylamino]-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
CID 109207345
4-(tert-butylamino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 109207144
ethyl 4-[[2-[2-(dimethylamino)ethylcarbamoyl]-4-pyridinyl]amino]benzoate
CID 109207240
methyl 4-chloro-3-[[2-[2-(dimethylamino)ethylcarbamoyl]-4-pyridinyl]amino]benzoate
CID 109207218
4-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109207266
6-(4-bromo-2-methylanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344379
4-(2,4-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109219771

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-(2,4-dimethylanilino)pyridine-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-(2,4-dimethylanilino)pyridine-2-carboxamide (CID 109207165) is N-[2-(dimethylamino)ethyl]-4-(2,4-dimethylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-(2,4-dimethylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-(2,4-dimethylanilino)pyridine-2-carboxamide is Cc1ccc(Nc2ccnc(C(=O)NCCN(C)C)c2)c(C)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-(2,4-dimethylanilino)pyridine-2-carboxamide?
The InChIKey is GGYPDPARQHEHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-13-5-6-16(14(2)11-13)21-15-7-8-19-17(12-15)18(23)20-9-10-22(3)4/h5-8,11-12H,9-10H2,1-4H3,(H,19,21)(H,20,23).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-(2,4-dimethylanilino)pyridine-2-carboxamide?
N-[2-(dimethylamino)ethyl]-4-(2,4-dimethylanilino)pyridine-2-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-(2,4-dimethylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109207165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).