2-[3-[6-[(4-oxo-1H-quinolin-5-yl)amino]-2-pyridinyl]-1,2,4-triazol-4-yl]propanenitrile

C19H15N7O — CID 138524519

IUPAC2-[3-[6-[(4-oxo-1H-quinolin-5-yl)amino]-2-pyridinyl]-1,2,4-triazol-4-yl]propanenitrile
SMILESCC(C#N)n1cnnc1-c1cccc(Nc2cccc3[nH]ccc(=O)c23)n1
InChIInChI=1S/C19H15N7O/c1-12(10-20)26-11-22-25-19(26)15-6-3-7-17(24-15)23-14-5-2-4-13-18(14)16(27)8-9-21-13/h2-9,11-12H,1H3,(H,21,27)(H,23,24)
InChIKeyAQMFZHANSHXMJK-UHFFFAOYSA-N
MW357.38 g/mol
LogP3.01
Rot. Bonds4

About 2-[3-[6-[(4-oxo-1H-quinolin-5-yl)amino]-2-pyridinyl]-1,2,4-triazol-4-yl]propanenitrile

2-[3-[6-[(4-oxo-1H-quinolin-5-yl)amino]-2-pyridinyl]-1,2,4-triazol-4-yl]propanenitrile (PubChem CID 138524519) has the molecular formula C19H15N7O and a molecular weight of 357.38 g/mol. Its IUPAC name is 2-[3-[6-[(4-oxo-1H-quinolin-5-yl)amino]-2-pyridinyl]-1,2,4-triazol-4-yl]propanenitrile.

Molecular Properties

Compound Name2-[3-[6-[(4-oxo-1H-quinolin-5-yl)amino]-2-pyridinyl]-1,2,4-triazol-4-yl]propanenitrile
PubChem CID138524519
Molecular FormulaC19H15N7O
Molecular Weight357.38 g/mol
Exact Mass357.13
IUPAC Name2-[3-[6-[(4-oxo-1H-quinolin-5-yl)amino]-2-pyridinyl]-1,2,4-triazol-4-yl]propanenitrile
SMILESCC(C#N)n1cnnc1-c1cccc(Nc2cccc3[nH]ccc(=O)c23)n1
InChIInChI=1S/C19H15N7O/c1-12(10-20)26-11-22-25-19(26)15-6-3-7-17(24-15)23-14-5-2-4-13-18(14)16(27)8-9-21-13/h2-9,11-12H,1H3,(H,21,27)(H,23,24)
InChIKeyAQMFZHANSHXMJK-UHFFFAOYSA-N
XLogP3.01
TPSA112.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[3-[6-[(4-oxo-1H-quinolin-5-yl)amino]-2-pyridinyl]-1,2,4-triazol-4-yl]propanenitrile with MolForge

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Launch Full Analysis

Related Compounds

methyl 4-oxo-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-1H-quinoline-2-carboxylate
CID 138524624
2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-1H-quinolin-4-one
CID 138524744
2-[(3R)-3-aminopyrrolidine-1-carbonyl]-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-1H-quinolin-4-one
CID 138524794
2-(hydroxymethyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one
CID 138524585
7-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]isoindol-1-one
CID 138524614
2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyridine-3-carboxamide
CID 153384507
2-(morpholine-4-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one
CID 138524584
2-(4-methylpiperazine-1-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one
CID 138524659
7-[[6-[4-(1-fluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]amino]-2-methyl-3H-isoindol-1-one
CID 138524606
2-(3-aminopyrrolidine-1-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one
CID 138524656
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one
CID 138524565
3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-imidazol-2-one
CID 154636541

Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-[(4-oxo-1H-quinolin-5-yl)amino]-2-pyridinyl]-1,2,4-triazol-4-yl]propanenitrile?
The IUPAC name of 2-[3-[6-[(4-oxo-1H-quinolin-5-yl)amino]-2-pyridinyl]-1,2,4-triazol-4-yl]propanenitrile (CID 138524519) is 2-[3-[6-[(4-oxo-1H-quinolin-5-yl)amino]-2-pyridinyl]-1,2,4-triazol-4-yl]propanenitrile.
What is the SMILES notation for 2-[3-[6-[(4-oxo-1H-quinolin-5-yl)amino]-2-pyridinyl]-1,2,4-triazol-4-yl]propanenitrile?
The canonical SMILES for 2-[3-[6-[(4-oxo-1H-quinolin-5-yl)amino]-2-pyridinyl]-1,2,4-triazol-4-yl]propanenitrile is CC(C#N)n1cnnc1-c1cccc(Nc2cccc3[nH]ccc(=O)c23)n1.
What is the InChIKey of 2-[3-[6-[(4-oxo-1H-quinolin-5-yl)amino]-2-pyridinyl]-1,2,4-triazol-4-yl]propanenitrile?
The InChIKey is AQMFZHANSHXMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N7O/c1-12(10-20)26-11-22-25-19(26)15-6-3-7-17(24-15)23-14-5-2-4-13-18(14)16(27)8-9-21-13/h2-9,11-12H,1H3,(H,21,27)(H,23,24).
What are the key properties of 2-[3-[6-[(4-oxo-1H-quinolin-5-yl)amino]-2-pyridinyl]-1,2,4-triazol-4-yl]propanenitrile?
2-[3-[6-[(4-oxo-1H-quinolin-5-yl)amino]-2-pyridinyl]-1,2,4-triazol-4-yl]propanenitrile has a molecular weight of 357.38 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-[(4-oxo-1H-quinolin-5-yl)amino]-2-pyridinyl]-1,2,4-triazol-4-yl]propanenitrile is sourced from PubChem (CID 138524519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).