N-[3-(dimethylcarbamoyl)-5-[[(4-ethylphenyl)methylamino]methyl]phenyl]pyridine-2-carboxamide

C25H28N4O2 — CID 42440808

IUPACN-[3-(dimethylcarbamoyl)-5-[[(4-ethylphenyl)methylamino]methyl]phenyl]pyridine-2-carboxamide
SMILESCCc1ccc(CNCc2cc(NC(=O)c3ccccn3)cc(C(=O)N(C)C)c2)cc1
InChIInChI=1S/C25H28N4O2/c1-4-18-8-10-19(11-9-18)16-26-17-20-13-21(25(31)29(2)3)15-22(14-20)28-24(30)23-7-5-6-12-27-23/h5-15,26H,4,16-17H2,1-3H3,(H,28,30)
InChIKeyYXFWNYNKXQBNEE-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.89
Rot. Bonds8

About N-[3-(dimethylcarbamoyl)-5-[[(4-ethylphenyl)methylamino]methyl]phenyl]pyridine-2-carboxamide

N-[3-(dimethylcarbamoyl)-5-[[(4-ethylphenyl)methylamino]methyl]phenyl]pyridine-2-carboxamide (PubChem CID 42440808) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N-[3-(dimethylcarbamoyl)-5-[[(4-ethylphenyl)methylamino]methyl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylcarbamoyl)-5-[[(4-ethylphenyl)methylamino]methyl]phenyl]pyridine-2-carboxamide
PubChem CID42440808
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC NameN-[3-(dimethylcarbamoyl)-5-[[(4-ethylphenyl)methylamino]methyl]phenyl]pyridine-2-carboxamide
SMILESCCc1ccc(CNCc2cc(NC(=O)c3ccccn3)cc(C(=O)N(C)C)c2)cc1
InChIInChI=1S/C25H28N4O2/c1-4-18-8-10-19(11-9-18)16-26-17-20-13-21(25(31)29(2)3)15-22(14-20)28-24(30)23-7-5-6-12-27-23/h5-15,26H,4,16-17H2,1-3H3,(H,28,30)
InChIKeyYXFWNYNKXQBNEE-UHFFFAOYSA-N
XLogP3.89
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(dimethylcarbamoyl)-5-[[(4-ethylphenyl)methylamino]methyl]phenyl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(dimethylcarbamoyl)-5-[(4-phenylbutan-2-ylamino)methyl]phenyl]pyridine-2-carboxamide
CID 45244793
N-[3-[[[5-(2-chlorophenyl)furan-2-yl]methylamino]methyl]-5-(dimethylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 42430841
N-[3-(dimethylcarbamoyl)-5-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]phenyl]pyridine-2-carboxamide
CID 45244425
N-[4-(ethylaminomethyl)phenyl]pyridine-2-carboxamide
CID 106910172
N-[[3-(dimethylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide
CID 46415352
N-[3-[[(4-methoxy-3-methylphenyl)methylamino]methyl]-5-(pyrrolidine-1-carbonyl)phenyl]pyridine-2-carboxamide
CID 25292086
N-[3-(ethylcarbamoyl)-5-[[[(3R)-3-(5-methylfuran-2-yl)butyl]amino]methyl]phenyl]pyridine-2-carboxamide
CID 42382022
methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]-5-[(pyridine-2-carbonylamino)methyl]benzoate
CID 42367388
methyl 3-[3-(3-fluorophenyl)prop-2-enoylamino]-5-[(pyridine-2-carbonylamino)methyl]benzoate
CID 74416619
N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide
CID 47160867
N-[(3-acetamidophenyl)methyl]pyridine-2-carboxamide
CID 46477958
2-N-(4-ethylphenyl)-4-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086903

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylcarbamoyl)-5-[[(4-ethylphenyl)methylamino]methyl]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-(dimethylcarbamoyl)-5-[[(4-ethylphenyl)methylamino]methyl]phenyl]pyridine-2-carboxamide (CID 42440808) is N-[3-(dimethylcarbamoyl)-5-[[(4-ethylphenyl)methylamino]methyl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylcarbamoyl)-5-[[(4-ethylphenyl)methylamino]methyl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-(dimethylcarbamoyl)-5-[[(4-ethylphenyl)methylamino]methyl]phenyl]pyridine-2-carboxamide is CCc1ccc(CNCc2cc(NC(=O)c3ccccn3)cc(C(=O)N(C)C)c2)cc1.
What is the InChIKey of N-[3-(dimethylcarbamoyl)-5-[[(4-ethylphenyl)methylamino]methyl]phenyl]pyridine-2-carboxamide?
The InChIKey is YXFWNYNKXQBNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-4-18-8-10-19(11-9-18)16-26-17-20-13-21(25(31)29(2)3)15-22(14-20)28-24(30)23-7-5-6-12-27-23/h5-15,26H,4,16-17H2,1-3H3,(H,28,30).
What are the key properties of N-[3-(dimethylcarbamoyl)-5-[[(4-ethylphenyl)methylamino]methyl]phenyl]pyridine-2-carboxamide?
N-[3-(dimethylcarbamoyl)-5-[[(4-ethylphenyl)methylamino]methyl]phenyl]pyridine-2-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 3.89, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylcarbamoyl)-5-[[(4-ethylphenyl)methylamino]methyl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 42440808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).