N-(2-ethylphenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide

C20H20N4O — CID 109235401

IUPACN-(2-ethylphenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1cncc(NCc2cccnc2)c1
InChIInChI=1S/C20H20N4O/c1-2-16-7-3-4-8-19(16)24-20(25)17-10-18(14-22-13-17)23-12-15-6-5-9-21-11-15/h3-11,13-14,23H,2,12H2,1H3,(H,24,25)
InChIKeyNPYAIMRTTHEQOF-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.90
Rot. Bonds6

About N-(2-ethylphenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide

N-(2-ethylphenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide (PubChem CID 109235401) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-(2-ethylphenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
PubChem CID109235401
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-(2-ethylphenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1cncc(NCc2cccnc2)c1
InChIInChI=1S/C20H20N4O/c1-2-16-7-3-4-8-19(16)24-20(25)17-10-18(14-22-13-17)23-12-15-6-5-9-21-11-15/h3-11,13-14,23H,2,12H2,1H3,(H,24,25)
InChIKeyNPYAIMRTTHEQOF-UHFFFAOYSA-N
XLogP3.90
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-chlorophenyl)methylamino]-N-(2-ethylphenyl)pyridine-3-carboxamide
CID 109234109
N-(2-ethylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide
CID 109225020
N-(2-ethylphenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109231536
N-(2,4-difluorophenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109235467
N-(2,4-dimethoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109235436
N-(5-methyl-1,2-oxazol-3-yl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109235488
5-(benzylamino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 109231887
5-(benzylamino)-N-(2-chlorophenyl)pyridine-3-carboxamide
CID 109231871
N-(3-cyanophenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109235482
N-(2-ethylphenyl)-5-(2-fluoroanilino)pyridine-3-carboxamide
CID 109243335
N-(3-phenylpropyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109235374
N-(2-ethylphenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109243373

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide (CID 109235401) is N-(2-ethylphenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide is CCc1ccccc1NC(=O)c1cncc(NCc2cccnc2)c1.
What is the InChIKey of N-(2-ethylphenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is NPYAIMRTTHEQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-2-16-7-3-4-8-19(16)24-20(25)17-10-18(14-22-13-17)23-12-15-6-5-9-21-11-15/h3-11,13-14,23H,2,12H2,1H3,(H,24,25).
What are the key properties of N-(2-ethylphenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
N-(2-ethylphenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109235401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).