N-(2-ethoxyphenyl)-2-[(3-methylphenyl)methylamino]pyridine-4-carboxamide

C22H23N3O2 — CID 109169864

IUPACN-(2-ethoxyphenyl)-2-[(3-methylphenyl)methylamino]pyridine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1ccnc(NCc2cccc(C)c2)c1
InChIInChI=1S/C22H23N3O2/c1-3-27-20-10-5-4-9-19(20)25-22(26)18-11-12-23-21(14-18)24-15-17-8-6-7-16(2)13-17/h4-14H,3,15H2,1-2H3,(H,23,24)(H,25,26)
InChIKeySHBNTFQWVLKNDI-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.65
Rot. Bonds7

About N-(2-ethoxyphenyl)-2-[(3-methylphenyl)methylamino]pyridine-4-carboxamide

N-(2-ethoxyphenyl)-2-[(3-methylphenyl)methylamino]pyridine-4-carboxamide (PubChem CID 109169864) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[(3-methylphenyl)methylamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[(3-methylphenyl)methylamino]pyridine-4-carboxamide
PubChem CID109169864
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-(2-ethoxyphenyl)-2-[(3-methylphenyl)methylamino]pyridine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1ccnc(NCc2cccc(C)c2)c1
InChIInChI=1S/C22H23N3O2/c1-3-27-20-10-5-4-9-19(20)25-22(26)18-11-12-23-21(14-18)24-15-17-8-6-7-16(2)13-17/h4-14H,3,15H2,1-2H3,(H,23,24)(H,25,26)
InChIKeySHBNTFQWVLKNDI-UHFFFAOYSA-N
XLogP4.65
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[2-[(3-methylphenyl)methylamino]pyridine-4-carbonyl]amino]benzoate
CID 109169893
N-(2-ethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109172694
6-N-(2-ethoxyphenyl)-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097471
N-(2-ethoxyphenyl)-2-(2-fluoroanilino)pyridine-4-carboxamide
CID 109177245
2-[(4-chlorophenyl)methylamino]-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 109170966
N-(2-ethoxyphenyl)-2-[(3-methylphenyl)methylamino]acetamide
CID 108996805
6-[(3-methylphenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109155845
2-(4-acetylanilino)-N-(2-ethoxyphenyl)pyridine-4-carboxamide
CID 109178114
2-(2-cyanoanilino)-N-(2-ethoxyphenyl)pyridine-4-carboxamide
CID 109178127
N-(2-ethoxyphenyl)-2-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide
CID 109168105
2-N-(2-ethoxyphenyl)-4-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085904
6-(benzylamino)-N-(2-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109368315

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[(3-methylphenyl)methylamino]pyridine-4-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[(3-methylphenyl)methylamino]pyridine-4-carboxamide (CID 109169864) is N-(2-ethoxyphenyl)-2-[(3-methylphenyl)methylamino]pyridine-4-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[(3-methylphenyl)methylamino]pyridine-4-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[(3-methylphenyl)methylamino]pyridine-4-carboxamide is CCOc1ccccc1NC(=O)c1ccnc(NCc2cccc(C)c2)c1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[(3-methylphenyl)methylamino]pyridine-4-carboxamide?
The InChIKey is SHBNTFQWVLKNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-3-27-20-10-5-4-9-19(20)25-22(26)18-11-12-23-21(14-18)24-15-17-8-6-7-16(2)13-17/h4-14H,3,15H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of N-(2-ethoxyphenyl)-2-[(3-methylphenyl)methylamino]pyridine-4-carboxamide?
N-(2-ethoxyphenyl)-2-[(3-methylphenyl)methylamino]pyridine-4-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 4.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[(3-methylphenyl)methylamino]pyridine-4-carboxamide is sourced from PubChem (CID 109169864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).