4-(3-methoxyanilino)-N-(1-phenylethyl)pyridine-2-carboxamide

C21H21N3O2 — CID 109210708

IUPAC4-(3-methoxyanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
SMILESCOc1cccc(Nc2ccnc(C(=O)NC(C)c3ccccc3)c2)c1
InChIInChI=1S/C21H21N3O2/c1-15(16-7-4-3-5-8-16)23-21(25)20-14-18(11-12-22-20)24-17-9-6-10-19(13-17)26-2/h3-15H,1-2H3,(H,22,24)(H,23,25)
InChIKeyHXWDKSUWQVDOCT-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.32
Rot. Bonds6

About 4-(3-methoxyanilino)-N-(1-phenylethyl)pyridine-2-carboxamide

4-(3-methoxyanilino)-N-(1-phenylethyl)pyridine-2-carboxamide (PubChem CID 109210708) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-(3-methoxyanilino)-N-(1-phenylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-methoxyanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
PubChem CID109210708
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name4-(3-methoxyanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
SMILESCOc1cccc(Nc2ccnc(C(=O)NC(C)c3ccccc3)c2)c1
InChIInChI=1S/C21H21N3O2/c1-15(16-7-4-3-5-8-16)23-21(25)20-14-18(11-12-22-20)24-17-9-6-10-19(13-17)26-2/h3-15H,1-2H3,(H,22,24)(H,23,25)
InChIKeyHXWDKSUWQVDOCT-UHFFFAOYSA-N
XLogP4.32
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methoxyanilino)-N-phenylpyridine-2-carboxamide
CID 109218773
4-(4-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210681
4-(2-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210679
4-(3-methoxyanilino)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109221601
4-(4-chloro-2-methoxy-5-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210740
4-(3-methoxyanilino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109219226
2-(3-methoxyanilino)-N-(1-phenylethyl)acetamide
CID 54814569
4-(3-chloro-4-methylanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109221266
4-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212009
4-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109203446
4-(3-methoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109206140
N-(3-methoxyphenyl)-N'-(1-phenylethyl)propanediamide
CID 108945966

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyanilino)-N-(1-phenylethyl)pyridine-2-carboxamide?
The IUPAC name of 4-(3-methoxyanilino)-N-(1-phenylethyl)pyridine-2-carboxamide (CID 109210708) is 4-(3-methoxyanilino)-N-(1-phenylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(3-methoxyanilino)-N-(1-phenylethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(3-methoxyanilino)-N-(1-phenylethyl)pyridine-2-carboxamide is COc1cccc(Nc2ccnc(C(=O)NC(C)c3ccccc3)c2)c1.
What is the InChIKey of 4-(3-methoxyanilino)-N-(1-phenylethyl)pyridine-2-carboxamide?
The InChIKey is HXWDKSUWQVDOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-15(16-7-4-3-5-8-16)23-21(25)20-14-18(11-12-22-20)24-17-9-6-10-19(13-17)26-2/h3-15H,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 4-(3-methoxyanilino)-N-(1-phenylethyl)pyridine-2-carboxamide?
4-(3-methoxyanilino)-N-(1-phenylethyl)pyridine-2-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyanilino)-N-(1-phenylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109210708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).