N-(3-chloro-4-methoxyphenyl)-5-(N-ethyl-3-methylanilino)pyridine-3-carboxamide

C22H22ClN3O2 — CID 109245017

IUPACN-(3-chloro-4-methoxyphenyl)-5-(N-ethyl-3-methylanilino)pyridine-3-carboxamide
SMILESCCN(c1cccc(C)c1)c1cncc(C(=O)Nc2ccc(OC)c(Cl)c2)c1
InChIInChI=1S/C22H22ClN3O2/c1-4-26(18-7-5-6-15(2)10-18)19-11-16(13-24-14-19)22(27)25-17-8-9-21(28-3)20(23)12-17/h5-14H,4H2,1-3H3,(H,25,27)
InChIKeyLMNLIHJZISGNRC-UHFFFAOYSA-N
MW395.89 g/mol
LogP5.46
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-5-(N-ethyl-3-methylanilino)pyridine-3-carboxamide

N-(3-chloro-4-methoxyphenyl)-5-(N-ethyl-3-methylanilino)pyridine-3-carboxamide (PubChem CID 109245017) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-5-(N-ethyl-3-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-5-(N-ethyl-3-methylanilino)pyridine-3-carboxamide
PubChem CID109245017
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC NameN-(3-chloro-4-methoxyphenyl)-5-(N-ethyl-3-methylanilino)pyridine-3-carboxamide
SMILESCCN(c1cccc(C)c1)c1cncc(C(=O)Nc2ccc(OC)c(Cl)c2)c1
InChIInChI=1S/C22H22ClN3O2/c1-4-26(18-7-5-6-15(2)10-18)19-11-16(13-24-14-19)22(27)25-17-8-9-21(28-3)20(23)12-17/h5-14H,4H2,1-3H3,(H,25,27)
InChIKeyLMNLIHJZISGNRC-UHFFFAOYSA-N
XLogP5.46
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.89
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide
CID 109269318
N-(3,4-dimethoxyphenyl)-5-(N-ethylanilino)pyridine-3-carboxamide
CID 109243640
N-[4-(dimethylamino)phenyl]-5-(N-ethyl-3-methylanilino)pyridine-3-carboxamide
CID 109246001
N-(3,4-dimethoxyphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide
CID 109269982
5-(N-ethyl-3-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109245566
methyl 2-[[5-(N-ethyl-3-methylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109245916
N-(3,4-dimethoxyphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide
CID 109318103
5-(diethylamino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109238900
N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
CID 731708
N-(3-chloro-4-methoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235708
N-(3-acetamidophenyl)-5-(N-ethylanilino)pyridine-3-carboxamide
CID 109243646
N-(3-chloro-4-methoxyphenyl)-5-(2,3-dimethylanilino)pyridine-3-carboxamide
CID 109243288

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-(N-ethyl-3-methylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-(N-ethyl-3-methylanilino)pyridine-3-carboxamide (CID 109245017) is N-(3-chloro-4-methoxyphenyl)-5-(N-ethyl-3-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-5-(N-ethyl-3-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-5-(N-ethyl-3-methylanilino)pyridine-3-carboxamide is CCN(c1cccc(C)c1)c1cncc(C(=O)Nc2ccc(OC)c(Cl)c2)c1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-5-(N-ethyl-3-methylanilino)pyridine-3-carboxamide?
The InChIKey is LMNLIHJZISGNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-4-26(18-7-5-6-15(2)10-18)19-11-16(13-24-14-19)22(27)25-17-8-9-21(28-3)20(23)12-17/h5-14H,4H2,1-3H3,(H,25,27).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-5-(N-ethyl-3-methylanilino)pyridine-3-carboxamide?
N-(3-chloro-4-methoxyphenyl)-5-(N-ethyl-3-methylanilino)pyridine-3-carboxamide has a molecular weight of 395.89 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-5-(N-ethyl-3-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109245017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).