N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[4-(pyridin-3-ylmethylamino)-1H-pyrazol-5-yl]-1,3,4-oxadiazol-2-amine

C19H17N7O3 — CID 5147146

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[4-(pyridin-3-ylmethylamino)-1H-pyrazol-5-yl]-1,3,4-oxadiazol-2-amine
SMILESc1cncc(CNc2cn[nH]c2-c2nnc(Nc3ccc4c(c3)OCCO4)o2)c1
InChIInChI=1S/C19H17N7O3/c1-2-12(9-20-5-1)10-21-14-11-22-24-17(14)18-25-26-19(29-18)23-13-3-4-15-16(8-13)28-7-6-27-15/h1-5,8-9,11,21H,6-7,10H2,(H,22,24)(H,23,26)
InChIKeyVRPDPRKTZZRHJN-UHFFFAOYSA-N
MW391.39 g/mol
LogP2.98
Rot. Bonds6

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[4-(pyridin-3-ylmethylamino)-1H-pyrazol-5-yl]-1,3,4-oxadiazol-2-amine

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[4-(pyridin-3-ylmethylamino)-1H-pyrazol-5-yl]-1,3,4-oxadiazol-2-amine (PubChem CID 5147146) has the molecular formula C19H17N7O3 and a molecular weight of 391.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[4-(pyridin-3-ylmethylamino)-1H-pyrazol-5-yl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[4-(pyridin-3-ylmethylamino)-1H-pyrazol-5-yl]-1,3,4-oxadiazol-2-amine
PubChem CID5147146
Molecular FormulaC19H17N7O3
Molecular Weight391.39 g/mol
Exact Mass391.14
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[4-(pyridin-3-ylmethylamino)-1H-pyrazol-5-yl]-1,3,4-oxadiazol-2-amine
SMILESc1cncc(CNc2cn[nH]c2-c2nnc(Nc3ccc4c(c3)OCCO4)o2)c1
InChIInChI=1S/C19H17N7O3/c1-2-12(9-20-5-1)10-21-14-11-22-24-17(14)18-25-26-19(29-18)23-13-3-4-15-16(8-13)28-7-6-27-15/h1-5,8-9,11,21H,6-7,10H2,(H,22,24)(H,23,26)
InChIKeyVRPDPRKTZZRHJN-UHFFFAOYSA-N
XLogP2.98
TPSA123.01 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[1-methyl-4-(pyridin-3-ylmethylamino)pyrazol-5-yl]-1,3,4-oxadiazol-2-amine
CID 46889304
N-(4-chlorophenyl)-5-[4-(pyridin-4-ylmethylamino)-1H-pyrazol-5-yl]-1,3,4-oxadiazol-2-amine
CID 71694750
N-[4-(pyridin-3-ylmethylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 112983088
N-(1,3-benzodioxol-5-yl)-5-[2-(pyridin-4-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine
CID 11668206
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 108999581
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine
CID 122175740
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109329961
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213214
6-(pyridin-3-ylmethylamino)-4H-1,4-benzoxazin-3-one
CID 28651604
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N-bis(pyridin-3-ylmethyl)methanamine
CID 23766878
N-[(5-bromo-3-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 104796664
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]acetamide
CID 171704634

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[4-(pyridin-3-ylmethylamino)-1H-pyrazol-5-yl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[4-(pyridin-3-ylmethylamino)-1H-pyrazol-5-yl]-1,3,4-oxadiazol-2-amine (CID 5147146) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[4-(pyridin-3-ylmethylamino)-1H-pyrazol-5-yl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[4-(pyridin-3-ylmethylamino)-1H-pyrazol-5-yl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[4-(pyridin-3-ylmethylamino)-1H-pyrazol-5-yl]-1,3,4-oxadiazol-2-amine is c1cncc(CNc2cn[nH]c2-c2nnc(Nc3ccc4c(c3)OCCO4)o2)c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[4-(pyridin-3-ylmethylamino)-1H-pyrazol-5-yl]-1,3,4-oxadiazol-2-amine?
The InChIKey is VRPDPRKTZZRHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O3/c1-2-12(9-20-5-1)10-21-14-11-22-24-17(14)18-25-26-19(29-18)23-13-3-4-15-16(8-13)28-7-6-27-15/h1-5,8-9,11,21H,6-7,10H2,(H,22,24)(H,23,26).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[4-(pyridin-3-ylmethylamino)-1H-pyrazol-5-yl]-1,3,4-oxadiazol-2-amine?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[4-(pyridin-3-ylmethylamino)-1H-pyrazol-5-yl]-1,3,4-oxadiazol-2-amine has a molecular weight of 391.39 g/mol, XLogP of 2.98, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[4-(pyridin-3-ylmethylamino)-1H-pyrazol-5-yl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 5147146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).