4,6-dimethyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]pyridin-2-amine

C16H17N5O — CID 90402691

IUPAC4,6-dimethyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]pyridin-2-amine
SMILESCc1cc(N)nc(C)c1Oc1ccnc(-c2cnn(C)c2)c1
InChIInChI=1S/C16H17N5O/c1-10-6-15(17)20-11(2)16(10)22-13-4-5-18-14(7-13)12-8-19-21(3)9-12/h4-9H,1-3H3,(H2,17,20)
InChIKeyNLTZGHVRSWSTGQ-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.87
Rot. Bonds3

About 4,6-dimethyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]pyridin-2-amine

4,6-dimethyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]pyridin-2-amine (PubChem CID 90402691) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 4,6-dimethyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]pyridin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]pyridin-2-amine
PubChem CID90402691
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name4,6-dimethyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]pyridin-2-amine
SMILESCc1cc(N)nc(C)c1Oc1ccnc(-c2cnn(C)c2)c1
InChIInChI=1S/C16H17N5O/c1-10-6-15(17)20-11(2)16(10)22-13-4-5-18-14(7-13)12-8-19-21(3)9-12/h4-9H,1-3H3,(H2,17,20)
InChIKeyNLTZGHVRSWSTGQ-UHFFFAOYSA-N
XLogP2.87
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]pyridin-2-amine?
The IUPAC name of 4,6-dimethyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]pyridin-2-amine (CID 90402691) is 4,6-dimethyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]pyridin-2-amine.
What is the SMILES notation for 4,6-dimethyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]pyridin-2-amine?
The canonical SMILES for 4,6-dimethyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]pyridin-2-amine is Cc1cc(N)nc(C)c1Oc1ccnc(-c2cnn(C)c2)c1.
What is the InChIKey of 4,6-dimethyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]pyridin-2-amine?
The InChIKey is NLTZGHVRSWSTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-10-6-15(17)20-11(2)16(10)22-13-4-5-18-14(7-13)12-8-19-21(3)9-12/h4-9H,1-3H3,(H2,17,20).
What are the key properties of 4,6-dimethyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]pyridin-2-amine?
4,6-dimethyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]pyridin-2-amine has a molecular weight of 295.35 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]pyridin-2-amine is sourced from PubChem (CID 90402691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).