N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide

C18H15FN4O2 — CID 74249303

IUPACN-[1-(3-fluoro-4-hydroxyphenyl)ethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
SMILESCC(NC(=O)c1cnc(-c2ccncc2)nc1)c1ccc(O)c(F)c1
InChIInChI=1S/C18H15FN4O2/c1-11(13-2-3-16(24)15(19)8-13)23-18(25)14-9-21-17(22-10-14)12-4-6-20-7-5-12/h2-11,24H,1H3,(H,23,25)
InChIKeyJORTUMGOBGEDQN-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.87
Rot. Bonds4

About N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide

N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide (PubChem CID 74249303) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3-fluoro-4-hydroxyphenyl)ethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
PubChem CID74249303
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC NameN-[1-(3-fluoro-4-hydroxyphenyl)ethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
SMILESCC(NC(=O)c1cnc(-c2ccncc2)nc1)c1ccc(O)c(F)c1
InChIInChI=1S/C18H15FN4O2/c1-11(13-2-3-16(24)15(19)8-13)23-18(25)14-9-21-17(22-10-14)12-4-6-20-7-5-12/h2-11,24H,1H3,(H,23,25)
InChIKeyJORTUMGOBGEDQN-UHFFFAOYSA-N
XLogP2.87
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-pyridin-4-ylbenzamide
CID 68515087
N-[(1R)-1-(3-fluoro-4-hydroxyphenyl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide
CID 95870855
N-[(1R)-1-(4-pyridin-4-ylphenyl)ethyl]pyridine-3-carboxamide
CID 95935601
N-[1-(4-fluorophenyl)ethyl]-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 53143559
2-fluoro-4-[(1R)-1-hydrazinylethyl]phenol
CID 124537732
N-[1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 17173747
N-[(1S)-1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 42563511
3,5-dihydroxy-N-(1-pyridin-4-ylethyl)benzamide
CID 103891609
4-chloro-2-(cyclopropylmethoxy)-N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]pyridine-3-carboxamide
CID 86298131
N-[1-(6-bromo-3-pyridinyl)ethyl]pyridine-4-carboxamide
CID 140582807
1-methyl-N-[1-(4-pyridin-4-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 71983829
N-[(1R)-1-(3-fluoro-4-hydroxyphenyl)ethyl]-5-(methoxymethyl)thiophene-2-carboxamide
CID 99946069

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide (CID 74249303) is N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide is CC(NC(=O)c1cnc(-c2ccncc2)nc1)c1ccc(O)c(F)c1.
What is the InChIKey of N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide?
The InChIKey is JORTUMGOBGEDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c1-11(13-2-3-16(24)15(19)8-13)23-18(25)14-9-21-17(22-10-14)12-4-6-20-7-5-12/h2-11,24H,1H3,(H,23,25).
What are the key properties of N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide?
N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide has a molecular weight of 338.34 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 74249303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).