N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-benzofuran-2-carboxamide

C19H17N5O2 — CID 142499849

IUPACN-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-benzofuran-2-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cc3ccccc3o2)n1
InChIInChI=1S/C19H17N5O2/c1-12(2)24-11-20-23-18(24)14-7-5-9-17(21-14)22-19(25)16-10-13-6-3-4-8-15(13)26-16/h3-12H,1-2H3,(H,21,22,25)
InChIKeyONGLJQBCXBRPTJ-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.92
Rot. Bonds4

About N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-benzofuran-2-carboxamide

N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-benzofuran-2-carboxamide (PubChem CID 142499849) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-benzofuran-2-carboxamide
PubChem CID142499849
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC NameN-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-benzofuran-2-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cc3ccccc3o2)n1
InChIInChI=1S/C19H17N5O2/c1-12(2)24-11-20-23-18(24)14-7-5-9-17(21-14)22-19(25)16-10-13-6-3-4-8-15(13)26-16/h3-12H,1-2H3,(H,21,22,25)
InChIKeyONGLJQBCXBRPTJ-UHFFFAOYSA-N
XLogP3.92
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Pyrazolo[3,4-d]pyrimidine 15
CID 6539966
4-methoxy-N~1~-methyl-N~3~-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}benzene-1,3-dicarboxamide
CID 131955125
(7S)-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one
CID 140430627
N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(2-((dimethylamino)methyl)phenoxy)acetamide
CID 24739308
N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(4-((dimethylamino)methyl)phenoxy)acetamide
CID 24739309
N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(3-(2-(dimethylamino)ethyl)phenoxy)acetamide
CID 24739648
N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(2-((dimethylamino)methyl)-4-methylphenoxy)acetamide
CID 44448052
2-[4-[(dimethylamino)methyl]phenyl]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide
CID 44454569
4-methoxy-3-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzene-1,3-dicarboxamide
CID 145981571
N-(4-methylpyridin-2-yl)-1-benzofuran-2-carboxamide
CID 2872083
3-methyl-N-(5-methyl-2-pyridinyl)-2-benzofurancarboxamide
CID 18106749
3-methyl-N-(4-methylpyridin-2-yl)-1-benzofuran-2-carboxamide
CID 21211963

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-benzofuran-2-carboxamide (CID 142499849) is N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-benzofuran-2-carboxamide is CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3ccccc3o2)n1.
What is the InChIKey of N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-benzofuran-2-carboxamide?
The InChIKey is ONGLJQBCXBRPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-12(2)24-11-20-23-18(24)14-7-5-9-17(21-14)22-19(25)16-10-13-6-3-4-8-15(13)26-16/h3-12H,1-2H3,(H,21,22,25).
What are the key properties of N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-benzofuran-2-carboxamide?
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-benzofuran-2-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 142499849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).