N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-phenoxybenzamide

C23H19N5O2 — CID 135347965

IUPACN-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-phenoxybenzamide
SMILESO=C(Nc1cccc(-c2nncn2C2CC2)n1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C23H19N5O2/c29-23(16-6-4-9-19(14-16)30-18-7-2-1-3-8-18)26-21-11-5-10-20(25-21)22-27-24-15-28(22)17-12-13-17/h1-11,14-15,17H,12-13H2,(H,25,26,29)
InChIKeyAUTOKRAZCONYQZ-UHFFFAOYSA-N
MW397.44 g/mol
LogP4.72
Rot. Bonds6

About N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-phenoxybenzamide

N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-phenoxybenzamide (PubChem CID 135347965) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-phenoxybenzamide.

Molecular Properties

Compound NameN-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-phenoxybenzamide
PubChem CID135347965
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC NameN-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-phenoxybenzamide
SMILESO=C(Nc1cccc(-c2nncn2C2CC2)n1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C23H19N5O2/c29-23(16-6-4-9-19(14-16)30-18-7-2-1-3-8-18)26-21-11-5-10-20(25-21)22-27-24-15-28(22)17-12-13-17/h1-11,14-15,17H,12-13H2,(H,25,26,29)
InChIKeyAUTOKRAZCONYQZ-UHFFFAOYSA-N
XLogP4.72
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyrimidin-4-yloxybenzamide
CID 135347920
phenyl N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate
CID 171484382
N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-[4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]imidazol-1-yl]benzamide
CID 166690992
N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(5-propan-2-yl-1,2-dihydroimidazol-3-yl)benzamide
CID 155359333
N-(1-methylpyrazol-3-yl)-3-phenoxybenzamide
CID 7614445
N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(5-phenyl-1,2-dihydroimidazol-3-yl)pyridine-2-carboxamide
CID 66900603
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-[2-(2-pyrrolidin-1-ylethoxy)pyrimidin-5-yl]oxybenzamide
CID 135348073
ethane;molecular hydrogen;N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide
CID 142483445
4-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-2-carboxamide;hydrochloride
CID 146345635
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(pyridazin-4-ylmethoxy)benzamide
CID 135347692
4-(6-cyclopropyl-3-pyridinyl)-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-methylpyridine-2-carboxamide
CID 58102941
5-bromo-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-[(2-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 171483457

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-phenoxybenzamide?
The IUPAC name of N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-phenoxybenzamide (CID 135347965) is N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-phenoxybenzamide.
What is the SMILES notation for N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-phenoxybenzamide?
The canonical SMILES for N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-phenoxybenzamide is O=C(Nc1cccc(-c2nncn2C2CC2)n1)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-phenoxybenzamide?
The InChIKey is AUTOKRAZCONYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c29-23(16-6-4-9-19(14-16)30-18-7-2-1-3-8-18)26-21-11-5-10-20(25-21)22-27-24-15-28(22)17-12-13-17/h1-11,14-15,17H,12-13H2,(H,25,26,29).
What are the key properties of N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-phenoxybenzamide?
N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-phenoxybenzamide has a molecular weight of 397.44 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-phenoxybenzamide is sourced from PubChem (CID 135347965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).