3-chloro-6-ethoxy-N-[(2-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide

C22H22ClN3O2 — CID 86940896

IUPAC3-chloro-6-ethoxy-N-[(2-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
SMILESCCOc1ccc(Cl)c(C(=O)N(Cc2ccccn2)Cc2ccccc2C)n1
InChIInChI=1S/C22H22ClN3O2/c1-3-28-20-12-11-19(23)21(25-20)22(27)26(15-18-10-6-7-13-24-18)14-17-9-5-4-8-16(17)2/h4-13H,3,14-15H2,1-2H3
InChIKeyNMMJBDRPNIOVBK-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.68
Rot. Bonds7

About 3-chloro-6-ethoxy-N-[(2-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide

3-chloro-6-ethoxy-N-[(2-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 86940896) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is 3-chloro-6-ethoxy-N-[(2-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-ethoxy-N-[(2-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
PubChem CID86940896
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC Name3-chloro-6-ethoxy-N-[(2-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
SMILESCCOc1ccc(Cl)c(C(=O)N(Cc2ccccn2)Cc2ccccc2C)n1
InChIInChI=1S/C22H22ClN3O2/c1-3-28-20-12-11-19(23)21(25-20)22(27)26(15-18-10-6-7-13-24-18)14-17-9-5-4-8-16(17)2/h4-13H,3,14-15H2,1-2H3
InChIKeyNMMJBDRPNIOVBK-UHFFFAOYSA-N
XLogP4.68
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methylphenyl)methyl]-4-oxo-N-(pyridin-2-ylmethyl)-3H-phthalazine-1-carboxamide
CID 166194800
3-chloro-6-(ethylamino)-N-methyl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 62168209
3-chloro-6-ethoxy-N-methylpyridine-2-carboxamide
CID 47377989
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-yl-N-(pyridin-2-ylmethyl)acetamide
CID 41056541
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[(2-methylphenyl)methyl]propanamide
CID 113120171
2-ethoxy-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084654
N-ethyl-2-iodo-3-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 103741244
2-(2-chlorophenyl)-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 121084664
3-chloro-4-ethoxy-5-methoxy-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 47068322
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 86839956
1-ethyl-1-[(2-methylphenyl)methyl]-3-pyridin-2-ylurea
CID 47267033
2-[(2-chloro-4-methyl-1,3-thiazole-5-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid
CID 68715608

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-ethoxy-N-[(2-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-6-ethoxy-N-[(2-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide (CID 86940896) is 3-chloro-6-ethoxy-N-[(2-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-ethoxy-N-[(2-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-6-ethoxy-N-[(2-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide is CCOc1ccc(Cl)c(C(=O)N(Cc2ccccn2)Cc2ccccc2C)n1.
What is the InChIKey of 3-chloro-6-ethoxy-N-[(2-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is NMMJBDRPNIOVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-3-28-20-12-11-19(23)21(25-20)22(27)26(15-18-10-6-7-13-24-18)14-17-9-5-4-8-16(17)2/h4-13H,3,14-15H2,1-2H3.
What are the key properties of 3-chloro-6-ethoxy-N-[(2-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
3-chloro-6-ethoxy-N-[(2-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 395.89 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-ethoxy-N-[(2-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 86940896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).