N-[2-(dimethylamino)ethyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide

C18H24N4O — CID 109229098

IUPACN-[2-(dimethylamino)ethyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
SMILESCc1ccc(CNc2cncc(C(=O)NCCN(C)C)c2)cc1
InChIInChI=1S/C18H24N4O/c1-14-4-6-15(7-5-14)11-21-17-10-16(12-19-13-17)18(23)20-8-9-22(2)3/h4-7,10,12-13,21H,8-9,11H2,1-3H3,(H,20,23)
InChIKeyOJLHFMPORABALB-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.29
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide

N-[2-(dimethylamino)ethyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide (PubChem CID 109229098) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
PubChem CID109229098
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-[2-(dimethylamino)ethyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
SMILESCc1ccc(CNc2cncc(C(=O)NCCN(C)C)c2)cc1
InChIInChI=1S/C18H24N4O/c1-14-4-6-15(7-5-14)11-21-17-10-16(12-19-13-17)18(23)20-8-9-22(2)3/h4-7,10,12-13,21H,8-9,11H2,1-3H3,(H,20,23)
InChIKeyOJLHFMPORABALB-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-[2-(dimethylamino)ethylamino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109229278
N-[2-(dimethylamino)ethyl]-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109229102
3-N-[2-(dimethylamino)ethyl]-5-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109104032
5-[(4-methylphenyl)methylamino]-N-propylpyridine-3-carboxamide
CID 109222786
5-[3-(dimethylamino)propylamino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109229900
N-(2-methoxyethyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109227649
N-butyl-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109224364
N-[(4-methylphenyl)methyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109232496
N-[2-(dimethylamino)ethyl]-5-(4-methylphenyl)pyridine-3-carboxamide
CID 46743906
N-[(3-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232216
N-[2-(3-chlorophenyl)ethyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232662
N-[2-(dimethylamino)ethyl]-5-(2-methoxyethylamino)pyridine-3-carboxamide
CID 109227823

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide (CID 109229098) is N-[2-(dimethylamino)ethyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide is Cc1ccc(CNc2cncc(C(=O)NCCN(C)C)c2)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide?
The InChIKey is OJLHFMPORABALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-14-4-6-15(7-5-14)11-21-17-10-16(12-19-13-17)18(23)20-8-9-22(2)3/h4-7,10,12-13,21H,8-9,11H2,1-3H3,(H,20,23).
What are the key properties of N-[2-(dimethylamino)ethyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide?
N-[2-(dimethylamino)ethyl]-5-[(4-methylphenyl)methylamino]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 N-[2-(dimethylamino)ethyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109229098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).