2-amino-4-[(4S)-2,2-dimethyloxan-4-yl]-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile

C18H23N5O — CID 95558662

IUPAC2-amino-4-[(4S)-2,2-dimethyloxan-4-yl]-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile
SMILESCc1c(-c2cnn(C)c2)nc(N)c(C#N)c1[C@H]1CCOC(C)(C)C1
InChIInChI=1S/C18H23N5O/c1-11-15(12-5-6-24-18(2,3)7-12)14(8-19)17(20)22-16(11)13-9-21-23(4)10-13/h9-10,12H,5-7H2,1-4H3,(H2,20,22)/t12-/m0/s1
InChIKeyPXSTYDLGTYRTKM-LBPRGKRZSA-N
MW325.42 g/mol
LogP2.92
Rot. Bonds2

About 2-amino-4-[(4S)-2,2-dimethyloxan-4-yl]-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile

2-amino-4-[(4S)-2,2-dimethyloxan-4-yl]-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile (PubChem CID 95558662) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 2-amino-4-[(4S)-2,2-dimethyloxan-4-yl]-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-[(4S)-2,2-dimethyloxan-4-yl]-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile
PubChem CID95558662
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name2-amino-4-[(4S)-2,2-dimethyloxan-4-yl]-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile
SMILESCc1c(-c2cnn(C)c2)nc(N)c(C#N)c1[C@H]1CCOC(C)(C)C1
InChIInChI=1S/C18H23N5O/c1-11-15(12-5-6-24-18(2,3)7-12)14(8-19)17(20)22-16(11)13-9-21-23(4)10-13/h9-10,12H,5-7H2,1-4H3,(H2,20,22)/t12-/m0/s1
InChIKeyPXSTYDLGTYRTKM-LBPRGKRZSA-N
XLogP2.92
TPSA89.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(4S)-2,2-dimethyloxan-4-yl]-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-[(4S)-2,2-dimethyloxan-4-yl]-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile (CID 95558662) is 2-amino-4-[(4S)-2,2-dimethyloxan-4-yl]-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-[(4S)-2,2-dimethyloxan-4-yl]-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-[(4S)-2,2-dimethyloxan-4-yl]-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile is Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1[C@H]1CCOC(C)(C)C1.
What is the InChIKey of 2-amino-4-[(4S)-2,2-dimethyloxan-4-yl]-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile?
The InChIKey is PXSTYDLGTYRTKM-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H23N5O/c1-11-15(12-5-6-24-18(2,3)7-12)14(8-19)17(20)22-16(11)13-9-21-23(4)10-13/h9-10,12H,5-7H2,1-4H3,(H2,20,22)/t12-/m0/s1.
What are the key properties of 2-amino-4-[(4S)-2,2-dimethyloxan-4-yl]-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile?
2-amino-4-[(4S)-2,2-dimethyloxan-4-yl]-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile has a molecular weight of 325.42 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(4S)-2,2-dimethyloxan-4-yl]-5-methyl-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 95558662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).