N-[2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyridine-3-carboxamide

C19H17N7O — CID 60505945

IUPACN-[2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCNc1cc(-c2ccccc2)nc2ncnn12)c1cccnc1
InChIInChI=1S/C19H17N7O/c27-18(15-7-4-8-20-12-15)22-10-9-21-17-11-16(14-5-2-1-3-6-14)25-19-23-13-24-26(17)19/h1-8,11-13,21H,9-10H2,(H,22,27)
InChIKeyHJIYKJMQGQXVTG-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.03
Rot. Bonds6

About N-[2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyridine-3-carboxamide

N-[2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyridine-3-carboxamide (PubChem CID 60505945) has the molecular formula C19H17N7O and a molecular weight of 359.39 g/mol. Its IUPAC name is N-[2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyridine-3-carboxamide
PubChem CID60505945
Molecular FormulaC19H17N7O
Molecular Weight359.39 g/mol
Exact Mass359.15
IUPAC NameN-[2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCNc1cc(-c2ccccc2)nc2ncnn12)c1cccnc1
InChIInChI=1S/C19H17N7O/c27-18(15-7-4-8-20-12-15)22-10-9-21-17-11-16(14-5-2-1-3-6-14)25-19-23-13-24-26(17)19/h1-8,11-13,21H,9-10H2,(H,22,27)
InChIKeyHJIYKJMQGQXVTG-UHFFFAOYSA-N
XLogP2.03
TPSA97.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N-[2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzamide
CID 78845185
3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanenitrile
CID 167860301
2,2-dimethyl-3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide
CID 60507623
N-(1,2-oxazol-5-ylmethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 154752142
N-[2-(5-fluoro-2-methylphenyl)ethyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 178201764
4-bromo-N-[2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]benzamide
CID 133270227
N-[(4-methylsulfanylphenyl)methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133272102
N-[2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 4235481
1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 133276376
N-(1,2-dipyridin-2-ylethyl)-5-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 167854794
N-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]furan-2-carboxamide
CID 31661006
N-[3-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 86974971

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyridine-3-carboxamide (CID 60505945) is N-[2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyridine-3-carboxamide is O=C(NCCNc1cc(-c2ccccc2)nc2ncnn12)c1cccnc1.
What is the InChIKey of N-[2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyridine-3-carboxamide?
The InChIKey is HJIYKJMQGQXVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O/c27-18(15-7-4-8-20-12-15)22-10-9-21-17-11-16(14-5-2-1-3-6-14)25-19-23-13-24-26(17)19/h1-8,11-13,21H,9-10H2,(H,22,27).
What are the key properties of N-[2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyridine-3-carboxamide?
N-[2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyridine-3-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 60505945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).