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

C17H22N4O — CID 110444852

IUPACN-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]pyridine-4-carboxamide
SMILESCN(C)CCNc1ccc(CNC(=O)c2ccncc2)cc1
InChIInChI=1S/C17H22N4O/c1-21(2)12-11-19-16-5-3-14(4-6-16)13-20-17(22)15-7-9-18-10-8-15/h3-10,19H,11-13H2,1-2H3,(H,20,22)
InChIKeyBMURTVZRVKLUIV-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.99
Rot. Bonds7

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

N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]pyridine-4-carboxamide (PubChem CID 110444852) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]pyridine-4-carboxamide
PubChem CID110444852
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]pyridine-4-carboxamide
SMILESCN(C)CCNc1ccc(CNC(=O)c2ccncc2)cc1
InChIInChI=1S/C17H22N4O/c1-21(2)12-11-19-16-5-3-14(4-6-16)13-20-17(22)15-7-9-18-10-8-15/h3-10,19H,11-13H2,1-2H3,(H,20,22)
InChIKeyBMURTVZRVKLUIV-UHFFFAOYSA-N
XLogP1.99
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-4-fluorobenzamide
CID 110441661
2-[2-(dimethylamino)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 109167796
5-[2-(dimethylamino)ethylamino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109229278
5-[3-(dimethylamino)propylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109229913
2-[2-(dimethylamino)ethylamino]-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109252869
N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]pyridine-4-carboxamide
CID 71918325
N-[3-(dimethylamino)propyl]pyridine-4-carboxamide;hydrochloride
CID 110755338
N-[[4-(bromomethyl)phenyl]methyl]pyridine-4-carboxamide
CID 107233792
2-chloro-N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-6-fluorobenzamide
CID 110445798
N-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110784452
N-benzylpyridine-4-carboxamide;hydrochloride
CID 110755427
3-N-[2-(dimethylamino)ethyl]-5-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109104032

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]pyridine-4-carboxamide (CID 110444852) is N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]pyridine-4-carboxamide is CN(C)CCNc1ccc(CNC(=O)c2ccncc2)cc1.
What is the InChIKey of N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]pyridine-4-carboxamide?
The InChIKey is BMURTVZRVKLUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-21(2)12-11-19-16-5-3-14(4-6-16)13-20-17(22)15-7-9-18-10-8-15/h3-10,19H,11-13H2,1-2H3,(H,20,22).
What are the key properties of N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]pyridine-4-carboxamide?
N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]pyridine-4-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 110444852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).