4-(4-chloro-2-methoxy-5-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide

C22H22ClN3O2 — CID 109210740

IUPAC4-(4-chloro-2-methoxy-5-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
SMILESCOc1cc(Cl)c(C)cc1Nc1ccnc(C(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C22H22ClN3O2/c1-14-11-19(21(28-3)13-18(14)23)26-17-9-10-24-20(12-17)22(27)25-15(2)16-7-5-4-6-8-16/h4-13,15H,1-3H3,(H,24,26)(H,25,27)
InChIKeyJAIXPUCNPBLAKE-UHFFFAOYSA-N
MW395.89 g/mol
LogP5.29
Rot. Bonds6

About 4-(4-chloro-2-methoxy-5-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide

4-(4-chloro-2-methoxy-5-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide (PubChem CID 109210740) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is 4-(4-chloro-2-methoxy-5-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-chloro-2-methoxy-5-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
PubChem CID109210740
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC Name4-(4-chloro-2-methoxy-5-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
SMILESCOc1cc(Cl)c(C)cc1Nc1ccnc(C(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C22H22ClN3O2/c1-14-11-19(21(28-3)13-18(14)23)26-17-9-10-24-20(12-17)22(27)25-15(2)16-7-5-4-6-8-16/h4-13,15H,1-3H3,(H,24,26)(H,25,27)
InChIKeyJAIXPUCNPBLAKE-UHFFFAOYSA-N
XLogP5.29
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.89
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210679
4-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopentylpyridine-2-carboxamide
CID 109204162
4-(4-chloro-2-methoxy-5-methylanilino)-N-cyclohexylpyridine-2-carboxamide
CID 109204886
4-(3-methoxyanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210708
4-(4-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210681
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(1-phenylethyl)urea
CID 108988820
4-(4-chloro-2-methoxy-5-methylanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109222674
4-(4-chloro-2-methoxy-5-methylanilino)pyridine-2-carbothioamide
CID 62924493
N-(4-chloro-2,5-dimethoxyphenyl)-4-(2-methylanilino)pyridine-2-carboxamide
CID 109219056
4-(4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109213087
N-(4-chloro-2-methoxy-5-methylphenyl)-4-hydrazinylpyridine-2-carboxamide
CID 62238327
4-(2-methoxy-5-methylanilino)-N-propan-2-ylpyridine-2-carboxamide
CID 109201419

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methoxy-5-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide?
The IUPAC name of 4-(4-chloro-2-methoxy-5-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide (CID 109210740) is 4-(4-chloro-2-methoxy-5-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-chloro-2-methoxy-5-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(4-chloro-2-methoxy-5-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide is COc1cc(Cl)c(C)cc1Nc1ccnc(C(=O)NC(C)c2ccccc2)c1.
What is the InChIKey of 4-(4-chloro-2-methoxy-5-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide?
The InChIKey is JAIXPUCNPBLAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-14-11-19(21(28-3)13-18(14)23)26-17-9-10-24-20(12-17)22(27)25-15(2)16-7-5-4-6-8-16/h4-13,15H,1-3H3,(H,24,26)(H,25,27).
What are the key properties of 4-(4-chloro-2-methoxy-5-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide?
4-(4-chloro-2-methoxy-5-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide has a molecular weight of 395.89 g/mol, XLogP of 5.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methoxy-5-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109210740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).