N-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpyrazol-3-yl)amino]pyridine-4-carboxamide

C18H19N5O2 — CID 117085212

IUPACN-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpyrazol-3-yl)amino]pyridine-4-carboxamide
SMILESCn1nccc1Nc1cc(C(=O)NCCc2ccc(O)cc2)ccn1
InChIInChI=1S/C18H19N5O2/c1-23-17(8-11-21-23)22-16-12-14(7-10-19-16)18(25)20-9-6-13-2-4-15(24)5-3-13/h2-5,7-8,10-12,24H,6,9H2,1H3,(H,19,22)(H,20,25)
InChIKeyXKTOPFKLPCHVPS-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.24
Rot. Bonds6

About N-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpyrazol-3-yl)amino]pyridine-4-carboxamide

N-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpyrazol-3-yl)amino]pyridine-4-carboxamide (PubChem CID 117085212) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpyrazol-3-yl)amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpyrazol-3-yl)amino]pyridine-4-carboxamide
PubChem CID117085212
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpyrazol-3-yl)amino]pyridine-4-carboxamide
SMILESCn1nccc1Nc1cc(C(=O)NCCc2ccc(O)cc2)ccn1
InChIInChI=1S/C18H19N5O2/c1-23-17(8-11-21-23)22-16-12-14(7-10-19-16)18(25)20-9-6-13-2-4-15(24)5-3-13/h2-5,7-8,10-12,24H,6,9H2,1H3,(H,19,22)(H,20,25)
InChIKeyXKTOPFKLPCHVPS-UHFFFAOYSA-N
XLogP2.24
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[[6-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]amino]ethyl]phenol
CID 117084853
2-[3-(dimethylamino)anilino]-N-[2-(4-hydroxyphenyl)ethyl]pyridine-4-carboxamide
CID 117085868
N-[2-(4-fluorophenyl)ethyl]-2-(methylamino)pyridine-4-carboxamide
CID 62185958
2-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-4-carboxamide
CID 104693681
N-[2-(4-hydroxyphenyl)ethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 61357227
2-(2-ethoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 109172626
2-(2-bromoanilino)-N-(2-phenylethyl)pyridine-4-carboxamide
CID 109172229
N-[2-(4-hydroxyphenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 117091113
2-methyl-N-[2-(4-methylphenyl)ethyl]pyrazole-3-carboxamide
CID 112528913
3-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzamide
CID 61017535
2-(1,3-benzodioxol-5-ylamino)-N-[2-(4-chlorophenyl)ethyl]pyridine-4-carboxamide
CID 109173834
2-[2-(4-chlorophenyl)ethylamino]-N-propylpyridine-4-carboxamide
CID 109165043

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpyrazol-3-yl)amino]pyridine-4-carboxamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpyrazol-3-yl)amino]pyridine-4-carboxamide (CID 117085212) is N-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpyrazol-3-yl)amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpyrazol-3-yl)amino]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpyrazol-3-yl)amino]pyridine-4-carboxamide is Cn1nccc1Nc1cc(C(=O)NCCc2ccc(O)cc2)ccn1.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpyrazol-3-yl)amino]pyridine-4-carboxamide?
The InChIKey is XKTOPFKLPCHVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-23-17(8-11-21-23)22-16-12-14(7-10-19-16)18(25)20-9-6-13-2-4-15(24)5-3-13/h2-5,7-8,10-12,24H,6,9H2,1H3,(H,19,22)(H,20,25).
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpyrazol-3-yl)amino]pyridine-4-carboxamide?
N-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpyrazol-3-yl)amino]pyridine-4-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpyrazol-3-yl)amino]pyridine-4-carboxamide is sourced from PubChem (CID 117085212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).