4-methyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]phthalazin-1-amine

C19H20N4O2 — CID 91774901

IUPAC4-methyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]phthalazin-1-amine
SMILESCc1nnc(N[C@@H]2CCOC[C@H]2Oc2ccccn2)c2ccccc12
InChIInChI=1S/C19H20N4O2/c1-13-14-6-2-3-7-15(14)19(23-22-13)21-16-9-11-24-12-17(16)25-18-8-4-5-10-20-18/h2-8,10,16-17H,9,11-12H2,1H3,(H,21,23)/t16-,17-/m1/s1
InChIKeyXMHRATQYKXHWFM-IAGOWNOFSA-N
MW336.39 g/mol
LogP2.98
Rot. Bonds4

About 4-methyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]phthalazin-1-amine

4-methyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]phthalazin-1-amine (PubChem CID 91774901) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-methyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]phthalazin-1-amine.

Molecular Properties

Compound Name4-methyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]phthalazin-1-amine
PubChem CID91774901
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Name4-methyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]phthalazin-1-amine
SMILESCc1nnc(N[C@@H]2CCOC[C@H]2Oc2ccccn2)c2ccccc12
InChIInChI=1S/C19H20N4O2/c1-13-14-6-2-3-7-15(14)19(23-22-13)21-16-9-11-24-12-17(16)25-18-8-4-5-10-20-18/h2-8,10,16-17H,9,11-12H2,1H3,(H,21,23)/t16-,17-/m1/s1
InChIKeyXMHRATQYKXHWFM-IAGOWNOFSA-N
XLogP2.98
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]phthalazin-1-amine?
The IUPAC name of 4-methyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]phthalazin-1-amine (CID 91774901) is 4-methyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]phthalazin-1-amine.
What is the SMILES notation for 4-methyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]phthalazin-1-amine?
The canonical SMILES for 4-methyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]phthalazin-1-amine is Cc1nnc(N[C@@H]2CCOC[C@H]2Oc2ccccn2)c2ccccc12.
What is the InChIKey of 4-methyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]phthalazin-1-amine?
The InChIKey is XMHRATQYKXHWFM-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13-14-6-2-3-7-15(14)19(23-22-13)21-16-9-11-24-12-17(16)25-18-8-4-5-10-20-18/h2-8,10,16-17H,9,11-12H2,1H3,(H,21,23)/t16-,17-/m1/s1.
What are the key properties of 4-methyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]phthalazin-1-amine?
4-methyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]phthalazin-1-amine has a molecular weight of 336.39 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]phthalazin-1-amine is sourced from PubChem (CID 91774901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).