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

C21H17N7O2 — CID 135347920

IUPACN-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyrimidin-4-yloxybenzamide
SMILESO=C(Nc1cccc(-c2nncn2C2CC2)n1)c1cccc(Oc2ccncn2)c1
InChIInChI=1S/C21H17N7O2/c29-21(14-3-1-4-16(11-14)30-19-9-10-22-12-23-19)26-18-6-2-5-17(25-18)20-27-24-13-28(20)15-7-8-15/h1-6,9-13,15H,7-8H2,(H,25,26,29)
InChIKeyAKZUJOGCKFZZGA-UHFFFAOYSA-N
MW399.41 g/mol
LogP3.51
Rot. Bonds6

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

N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyrimidin-4-yloxybenzamide (PubChem CID 135347920) has the molecular formula C21H17N7O2 and a molecular weight of 399.41 g/mol. Its IUPAC name is N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyrimidin-4-yloxybenzamide.

Molecular Properties

Compound NameN-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyrimidin-4-yloxybenzamide
PubChem CID135347920
Molecular FormulaC21H17N7O2
Molecular Weight399.41 g/mol
Exact Mass399.14
IUPAC NameN-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyrimidin-4-yloxybenzamide
SMILESO=C(Nc1cccc(-c2nncn2C2CC2)n1)c1cccc(Oc2ccncn2)c1
InChIInChI=1S/C21H17N7O2/c29-21(14-3-1-4-16(11-14)30-19-9-10-22-12-23-19)26-18-6-2-5-17(25-18)20-27-24-13-28(20)15-7-8-15/h1-6,9-13,15H,7-8H2,(H,25,26,29)
InChIKeyAKZUJOGCKFZZGA-UHFFFAOYSA-N
XLogP3.51
TPSA107.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-phenoxybenzamide
CID 135347965
4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyrimidin-4-yloxybenzamide
CID 135348383
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-pyridin-4-ylpyridine-2-carboxamide
CID 118450800
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-[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
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-(pyrimidin-4-ylamino)benzamide
CID 135348307
4-[(5-cyclopropyl-2-pyridinyl)oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-2-carboxamide
CID 135347895
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(pyridazin-4-ylmethoxy)benzamide
CID 135347692
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
4-(6-cyclopropyl-3-pyridinyl)-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-methylpyridine-2-carboxamide
CID 58102941

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyrimidin-4-yloxybenzamide?
The IUPAC name of N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyrimidin-4-yloxybenzamide (CID 135347920) is N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyrimidin-4-yloxybenzamide.
What is the SMILES notation for N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyrimidin-4-yloxybenzamide?
The canonical SMILES for N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyrimidin-4-yloxybenzamide is O=C(Nc1cccc(-c2nncn2C2CC2)n1)c1cccc(Oc2ccncn2)c1.
What is the InChIKey of N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyrimidin-4-yloxybenzamide?
The InChIKey is AKZUJOGCKFZZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N7O2/c29-21(14-3-1-4-16(11-14)30-19-9-10-22-12-23-19)26-18-6-2-5-17(25-18)20-27-24-13-28(20)15-7-8-15/h1-6,9-13,15H,7-8H2,(H,25,26,29).
What are the key properties of N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyrimidin-4-yloxybenzamide?
N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyrimidin-4-yloxybenzamide has a molecular weight of 399.41 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 8 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-pyrimidin-4-yloxybenzamide is sourced from PubChem (CID 135347920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).