5-[2-(dimethylamino)ethylamino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide

C18H24N4O — CID 109229278

IUPAC5-[2-(dimethylamino)ethylamino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cncc(NCCN(C)C)c2)cc1
InChIInChI=1S/C18H24N4O/c1-14-4-6-15(7-5-14)11-21-18(23)16-10-17(13-19-12-16)20-8-9-22(2)3/h4-7,10,12-13,20H,8-9,11H2,1-3H3,(H,21,23)
InChIKeyRQIBSSPVQNXQQX-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.29
Rot. Bonds7

About 5-[2-(dimethylamino)ethylamino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide

5-[2-(dimethylamino)ethylamino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 109229278) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethylamino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethylamino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
PubChem CID109229278
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name5-[2-(dimethylamino)ethylamino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cncc(NCCN(C)C)c2)cc1
InChIInChI=1S/C18H24N4O/c1-14-4-6-15(7-5-14)11-21-18(23)16-10-17(13-19-12-16)20-8-9-22(2)3/h4-7,10,12-13,20H,8-9,11H2,1-3H3,(H,21,23)
InChIKeyRQIBSSPVQNXQQX-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

5-[3-(dimethylamino)propylamino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109229900
N-[2-(dimethylamino)ethyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109229098
3-N-[2-(dimethylamino)ethyl]-5-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109104032
5-[3-(dimethylamino)propylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109229913
N-[2-(dimethylamino)ethyl]-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109229102
N-[(4-methylphenyl)methyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109232496
5-[(4-methylphenyl)methylamino]-N-propylpyridine-3-carboxamide
CID 109222786
N-[(3-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232216
N-butyl-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109224364
N-(2-methoxyethyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109227649
N-[(4-methylphenyl)methyl]-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide
CID 109232551
N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]pyridine-4-carboxamide
CID 110444852

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethylamino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-[2-(dimethylamino)ethylamino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide (CID 109229278) is 5-[2-(dimethylamino)ethylamino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[2-(dimethylamino)ethylamino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[2-(dimethylamino)ethylamino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide is Cc1ccc(CNC(=O)c2cncc(NCCN(C)C)c2)cc1.
What is the InChIKey of 5-[2-(dimethylamino)ethylamino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is RQIBSSPVQNXQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-14-4-6-15(7-5-14)11-21-18(23)16-10-17(13-19-12-16)20-8-9-22(2)3/h4-7,10,12-13,20H,8-9,11H2,1-3H3,(H,21,23).
What are the key properties of 5-[2-(dimethylamino)ethylamino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
5-[2-(dimethylamino)ethylamino]-N-[(4-methylphenyl)methyl]pyridine-3-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 5-[2-(dimethylamino)ethylamino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 109229278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).