N-[2-(4-hydroxyphenyl)ethyl]-5-(methylamino)pyridine-2-carboxamide

C15H17N3O2 — CID 104640447

IUPACN-[2-(4-hydroxyphenyl)ethyl]-5-(methylamino)pyridine-2-carboxamide
SMILESCNc1ccc(C(=O)NCCc2ccc(O)cc2)nc1
InChIInChI=1S/C15H17N3O2/c1-16-12-4-7-14(18-10-12)15(20)17-9-8-11-2-5-13(19)6-3-11/h2-7,10,16,19H,8-9H2,1H3,(H,17,20)
InChIKeyWSHXYLUPHAEDHC-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.80
Rot. Bonds5

About N-[2-(4-hydroxyphenyl)ethyl]-5-(methylamino)pyridine-2-carboxamide

N-[2-(4-hydroxyphenyl)ethyl]-5-(methylamino)pyridine-2-carboxamide (PubChem CID 104640447) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]-5-(methylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]-5-(methylamino)pyridine-2-carboxamide
PubChem CID104640447
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]-5-(methylamino)pyridine-2-carboxamide
SMILESCNc1ccc(C(=O)NCCc2ccc(O)cc2)nc1
InChIInChI=1S/C15H17N3O2/c1-16-12-4-7-14(18-10-12)15(20)17-9-8-11-2-5-13(19)6-3-11/h2-7,10,16,19H,8-9H2,1H3,(H,17,20)
InChIKeyWSHXYLUPHAEDHC-UHFFFAOYSA-N
XLogP1.80
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(methylamino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 104640377
5-(methylamino)-N-[2-(3-methylphenyl)ethyl]pyridine-2-carboxamide
CID 104641105
5-chloro-N-[2-(4-hydroxyphenyl)ethyl]pyrazine-2-carboxamide
CID 107252358
5-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 104639698
N-[2-(furan-2-yl)ethyl]-5-(methylamino)pyridine-2-carboxamide
CID 113436120
5-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide
CID 104641538
5-[2-(4-chlorophenyl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109192321
N-[2-(4-fluorophenyl)ethyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191849
5-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
CID 104641287
5-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide
CID 104641430
5-(butan-2-ylamino)-N-[2-(4-chlorophenyl)ethyl]pyridine-2-carboxamide
CID 109181634
N-[2-[ethyl(methyl)amino]ethyl]-5-(methylamino)pyridine-2-carboxamide
CID 104641145

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-5-(methylamino)pyridine-2-carboxamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-5-(methylamino)pyridine-2-carboxamide (CID 104640447) is N-[2-(4-hydroxyphenyl)ethyl]-5-(methylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]-5-(methylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]-5-(methylamino)pyridine-2-carboxamide is CNc1ccc(C(=O)NCCc2ccc(O)cc2)nc1.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]-5-(methylamino)pyridine-2-carboxamide?
The InChIKey is WSHXYLUPHAEDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-16-12-4-7-14(18-10-12)15(20)17-9-8-11-2-5-13(19)6-3-11/h2-7,10,16,19H,8-9H2,1H3,(H,17,20).
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]-5-(methylamino)pyridine-2-carboxamide?
N-[2-(4-hydroxyphenyl)ethyl]-5-(methylamino)pyridine-2-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.80, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)ethyl]-5-(methylamino)pyridine-2-carboxamide is sourced from PubChem (CID 104640447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).