N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide

C19H15N7O — CID 122291297

IUPACN-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Nc2cc(-n3ccnc3)ncn2)cc1)c1cccnc1
InChIInChI=1S/C19H15N7O/c27-19(14-2-1-7-20-11-14)25-16-5-3-15(4-6-16)24-17-10-18(23-12-22-17)26-9-8-21-13-26/h1-13H,(H,25,27)(H,22,23,24)
InChIKeyUYQIPRQIIKOSDD-UHFFFAOYSA-N
MW357.38 g/mol
LogP3.05
Rot. Bonds5

About N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide

N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide (PubChem CID 122291297) has the molecular formula C19H15N7O and a molecular weight of 357.38 g/mol. Its IUPAC name is N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide
PubChem CID122291297
Molecular FormulaC19H15N7O
Molecular Weight357.38 g/mol
Exact Mass357.13
IUPAC NameN-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Nc2cc(-n3ccnc3)ncn2)cc1)c1cccnc1
InChIInChI=1S/C19H15N7O/c27-19(14-2-1-7-20-11-14)25-16-5-3-15(4-6-16)24-17-10-18(23-12-22-17)26-9-8-21-13-26/h1-13H,(H,25,27)(H,22,23,24)
InChIKeyUYQIPRQIIKOSDD-UHFFFAOYSA-N
XLogP3.05
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-fluoro-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 121073828
N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122291399
N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-4-nitrobenzamide
CID 121073858
1-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-(3-methoxyphenyl)urea
CID 121074248
1-(3-fluorophenyl)-3-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]urea;hydrochloride
CID 154828685
1-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-(2-methylphenyl)urea
CID 70702504
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-3-methoxybenzamide
CID 121073870
2-cyclopentyl-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122291339
N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 122291300
2-(4-chlorophenoxy)-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-2-methylpropanamide
CID 121073849
N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122290654
N-[5-[[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide
CID 122291516

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide (CID 122291297) is N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(Nc2cc(-n3ccnc3)ncn2)cc1)c1cccnc1.
What is the InChIKey of N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide?
The InChIKey is UYQIPRQIIKOSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N7O/c27-19(14-2-1-7-20-11-14)25-16-5-3-15(4-6-16)24-17-10-18(23-12-22-17)26-9-8-21-13-26/h1-13H,(H,25,27)(H,22,23,24).
What are the key properties of N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide?
N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide has a molecular weight of 357.38 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 122291297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).