N-[2-(dimethylamino)ethyl]-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide

C18H24N4O — CID 109167652

IUPACN-[2-(dimethylamino)ethyl]-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide
SMILESCc1ccccc1CNc1cc(C(=O)NCCN(C)C)ccn1
InChIInChI=1S/C18H24N4O/c1-14-6-4-5-7-16(14)13-21-17-12-15(8-9-19-17)18(23)20-10-11-22(2)3/h4-9,12H,10-11,13H2,1-3H3,(H,19,21)(H,20,23)
InChIKeyCWQQBALDJBQMMB-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.29
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide

N-[2-(dimethylamino)ethyl]-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide (PubChem CID 109167652) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide
PubChem CID109167652
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-[2-(dimethylamino)ethyl]-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide
SMILESCc1ccccc1CNc1cc(C(=O)NCCN(C)C)ccn1
InChIInChI=1S/C18H24N4O/c1-14-6-4-5-7-16(14)13-21-17-12-15(8-9-19-17)18(23)20-10-11-22(2)3/h4-9,12H,10-11,13H2,1-3H3,(H,19,21)(H,20,23)
InChIKeyCWQQBALDJBQMMB-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

2-[2-(dimethylamino)ethylamino]-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide
CID 109167781
N-[2-(dimethylamino)ethyl]-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109167657
1-N-[2-(dimethylamino)ethyl]-4-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109045710
2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 109167778
N-[3-(dimethylamino)propyl]-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109168152
2-[(4-methoxyphenyl)methylamino]-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169599
N-[4-(diethylamino)phenyl]-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169732
2-(ethylamino)-N-methyl-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide
CID 62175582
N-[2-(dimethylamino)ethyl]-2-[2-(1H-indol-3-yl)ethylamino]pyridine-4-carboxamide
CID 109167678
N-butyl-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109165416
N-(3,4-difluorophenyl)-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169746
N-[2-(dimethylamino)ethyl]-2-[2-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109167733

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide (CID 109167652) is N-[2-(dimethylamino)ethyl]-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide is Cc1ccccc1CNc1cc(C(=O)NCCN(C)C)ccn1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide?
The InChIKey is CWQQBALDJBQMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-14-6-4-5-7-16(14)13-21-17-12-15(8-9-19-17)18(23)20-10-11-22(2)3/h4-9,12H,10-11,13H2,1-3H3,(H,19,21)(H,20,23).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide?
N-[2-(dimethylamino)ethyl]-2-[(2-methylphenyl)methylamino]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 N-[2-(dimethylamino)ethyl]-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide is sourced from PubChem (CID 109167652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).