4-(3,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide

C23H25N3O2 — CID 109214408

IUPAC4-(3,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cc(Nc3cc(C)cc(C)c3)ccn2)c1
InChIInChI=1S/C23H25N3O2/c1-16-11-17(2)13-20(12-16)26-19-8-10-24-22(15-19)23(27)25-9-7-18-5-4-6-21(14-18)28-3/h4-6,8,10-15H,7,9H2,1-3H3,(H,24,26)(H,25,27)
InChIKeySSFCDOQSBNISIG-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.42
Rot. Bonds7

About 4-(3,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide

4-(3,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide (PubChem CID 109214408) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 4-(3,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
PubChem CID109214408
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name4-(3,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cc(Nc3cc(C)cc(C)c3)ccn2)c1
InChIInChI=1S/C23H25N3O2/c1-16-11-17(2)13-20(12-16)26-19-8-10-24-22(15-19)23(27)25-9-7-18-5-4-6-21(14-18)28-3/h4-6,8,10-15H,7,9H2,1-3H3,(H,24,26)(H,25,27)
InChIKeySSFCDOQSBNISIG-UHFFFAOYSA-N
XLogP4.42
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-fluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214435
2-(3,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331064
4-(2,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214438
4-[2-(4-fluorophenyl)ethylamino]-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214178
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-methylanilino)pyridine-2-carboxamide
CID 109215403
4-(cyclopentylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109204211
N-[2-(3-methoxyphenyl)ethyl]-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109351367
2-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylpyridine-2,4-dicarboxamide
CID 109088169
4-(3-methoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109206140
N-benzyl-4-(3,5-dimethylanilino)pyridine-2-carboxamide
CID 109209680
5-(3-chloro-4-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109192640
N-[2-(3-chlorophenyl)ethyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109218487

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 4-(3,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide (CID 109214408) is 4-(3,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(3,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(3,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide is COc1cccc(CCNC(=O)c2cc(Nc3cc(C)cc(C)c3)ccn2)c1.
What is the InChIKey of 4-(3,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is SSFCDOQSBNISIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-16-11-17(2)13-20(12-16)26-19-8-10-24-22(15-19)23(27)25-9-7-18-5-4-6-21(14-18)28-3/h4-6,8,10-15H,7,9H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of 4-(3,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide?
4-(3,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 109214408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).