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

C18H24N4O — CID 109167781

IUPAC2-[2-(dimethylamino)ethylamino]-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide
SMILESCc1ccccc1CNC(=O)c1ccnc(NCCN(C)C)c1
InChIInChI=1S/C18H24N4O/c1-14-6-4-5-7-16(14)13-21-18(23)15-8-9-19-17(12-15)20-10-11-22(2)3/h4-9,12H,10-11,13H2,1-3H3,(H,19,20)(H,21,23)
InChIKeyMYDMGQUTAUJSOE-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.29
Rot. Bonds7

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

2-[2-(dimethylamino)ethylamino]-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide (PubChem CID 109167781) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide
PubChem CID109167781
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-[2-(dimethylamino)ethylamino]-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide
SMILESCc1ccccc1CNC(=O)c1ccnc(NCCN(C)C)c1
InChIInChI=1S/C18H24N4O/c1-14-6-4-5-7-16(14)13-21-18(23)15-8-9-19-17(12-15)20-10-11-22(2)3/h4-9,12H,10-11,13H2,1-3H3,(H,19,20)(H,21,23)
InChIKeyMYDMGQUTAUJSOE-UHFFFAOYSA-N
XLogP2.29
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109167652
2-[2-(dimethylamino)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 109167796
N-[2-(dimethylamino)ethyl]-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109167657
2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 109167778
1-N-[2-(dimethylamino)ethyl]-4-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109045710
6-[2-(dimethylamino)ethylamino]-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109365996
2-[(4-methoxyphenyl)methylamino]-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169599
2-[2-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid
CID 112723330
4-[3-(dimethylamino)propylamino]-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109207893
4-N-[(2-methylphenyl)methyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
CID 109085537
4-N-[2-(dimethylamino)ethyl]-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109083406
N-[3-(dimethylamino)propyl]-2-(propylamino)pyridine-4-carboxamide
CID 55042326

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide (CID 109167781) is 2-[2-(dimethylamino)ethylamino]-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide is Cc1ccccc1CNC(=O)c1ccnc(NCCN(C)C)c1.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide?
The InChIKey is MYDMGQUTAUJSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-14-6-4-5-7-16(14)13-21-18(23)15-8-9-19-17(12-15)20-10-11-22(2)3/h4-9,12H,10-11,13H2,1-3H3,(H,19,20)(H,21,23).
What are the key properties of 2-[2-(dimethylamino)ethylamino]-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide?
2-[2-(dimethylamino)ethylamino]-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 109167781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).