N-[4-(fluoromethyl)phenyl]-2-(pyrimidin-4-ylmethylamino)pyridine-3-carboxamide

C18H16FN5O — CID 70907587

IUPACN-[4-(fluoromethyl)phenyl]-2-(pyrimidin-4-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(CF)cc1)c1cccnc1NCc1ccncn1
InChIInChI=1S/C18H16FN5O/c19-10-13-3-5-14(6-4-13)24-18(25)16-2-1-8-21-17(16)22-11-15-7-9-20-12-23-15/h1-9,12H,10-11H2,(H,21,22)(H,24,25)
InChIKeyRPADUPURRKBAHW-UHFFFAOYSA-N
MW337.36 g/mol
LogP3.21
Rot. Bonds6

About N-[4-(fluoromethyl)phenyl]-2-(pyrimidin-4-ylmethylamino)pyridine-3-carboxamide

N-[4-(fluoromethyl)phenyl]-2-(pyrimidin-4-ylmethylamino)pyridine-3-carboxamide (PubChem CID 70907587) has the molecular formula C18H16FN5O and a molecular weight of 337.36 g/mol. Its IUPAC name is N-[4-(fluoromethyl)phenyl]-2-(pyrimidin-4-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(fluoromethyl)phenyl]-2-(pyrimidin-4-ylmethylamino)pyridine-3-carboxamide
PubChem CID70907587
Molecular FormulaC18H16FN5O
Molecular Weight337.36 g/mol
Exact Mass337.13
IUPAC NameN-[4-(fluoromethyl)phenyl]-2-(pyrimidin-4-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(CF)cc1)c1cccnc1NCc1ccncn1
InChIInChI=1S/C18H16FN5O/c19-10-13-3-5-14(6-4-13)24-18(25)16-2-1-8-21-17(16)22-11-15-7-9-20-12-23-15/h1-9,12H,10-11H2,(H,21,22)(H,24,25)
InChIKeyRPADUPURRKBAHW-UHFFFAOYSA-N
XLogP3.21
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(fluoromethyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 70907405
N-[4-[2-(1-methylpiperidin-4-yl)propan-2-yl]phenyl]-2-(pyrimidin-4-ylmethylamino)pyridine-3-carboxamide
CID 22498887
N-[4-(4-hydroxybutyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 10270887
N-(4-methylsulfonylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 22249375
N-(4-phenoxyphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;hydrochloride
CID 22249212
N-(4-cyclohexylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 22249467
N-(4-imidazol-1-ylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 22249186
N-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 11349748
3-nitro-N-(pyrimidin-4-ylmethyl)pyridin-2-amine
CID 114111440
N-(4-propan-2-ylphenyl)-4-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide
CID 22249256
2-[(3-amino-4-hydroxyphenyl)methylamino]-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 10045076
N-[4-(1-cyanocyclopropyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 11268688

Frequently Asked Questions

What is the IUPAC name of N-[4-(fluoromethyl)phenyl]-2-(pyrimidin-4-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[4-(fluoromethyl)phenyl]-2-(pyrimidin-4-ylmethylamino)pyridine-3-carboxamide (CID 70907587) is N-[4-(fluoromethyl)phenyl]-2-(pyrimidin-4-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(fluoromethyl)phenyl]-2-(pyrimidin-4-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[4-(fluoromethyl)phenyl]-2-(pyrimidin-4-ylmethylamino)pyridine-3-carboxamide is O=C(Nc1ccc(CF)cc1)c1cccnc1NCc1ccncn1.
What is the InChIKey of N-[4-(fluoromethyl)phenyl]-2-(pyrimidin-4-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is RPADUPURRKBAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O/c19-10-13-3-5-14(6-4-13)24-18(25)16-2-1-8-21-17(16)22-11-15-7-9-20-12-23-15/h1-9,12H,10-11H2,(H,21,22)(H,24,25).
What are the key properties of N-[4-(fluoromethyl)phenyl]-2-(pyrimidin-4-ylmethylamino)pyridine-3-carboxamide?
N-[4-(fluoromethyl)phenyl]-2-(pyrimidin-4-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 337.36 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(fluoromethyl)phenyl]-2-(pyrimidin-4-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 70907587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).