4-amino-2-chloro-6-[3-methoxy-4-(1-methylpyrazol-4-yl)anilino]pyridine-3-carbonitrile

C17H15ClN6O — CID 89105584

IUPAC4-amino-2-chloro-6-[3-methoxy-4-(1-methylpyrazol-4-yl)anilino]pyridine-3-carbonitrile
SMILESCOc1cc(Nc2cc(N)c(C#N)c(Cl)n2)ccc1-c1cnn(C)c1
InChIInChI=1S/C17H15ClN6O/c1-24-9-10(8-21-24)12-4-3-11(5-15(12)25-2)22-16-6-14(20)13(7-19)17(18)23-16/h3-6,8-9H,1-2H3,(H3,20,22,23)
InChIKeyIVRCEVNGZKMINF-UHFFFAOYSA-N
MW354.80 g/mol
LogP3.34
Rot. Bonds4

About 4-amino-2-chloro-6-[3-methoxy-4-(1-methylpyrazol-4-yl)anilino]pyridine-3-carbonitrile

4-amino-2-chloro-6-[3-methoxy-4-(1-methylpyrazol-4-yl)anilino]pyridine-3-carbonitrile (PubChem CID 89105584) has the molecular formula C17H15ClN6O and a molecular weight of 354.80 g/mol. Its IUPAC name is 4-amino-2-chloro-6-[3-methoxy-4-(1-methylpyrazol-4-yl)anilino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-amino-2-chloro-6-[3-methoxy-4-(1-methylpyrazol-4-yl)anilino]pyridine-3-carbonitrile
PubChem CID89105584
Molecular FormulaC17H15ClN6O
Molecular Weight354.80 g/mol
Exact Mass354.10
IUPAC Name4-amino-2-chloro-6-[3-methoxy-4-(1-methylpyrazol-4-yl)anilino]pyridine-3-carbonitrile
SMILESCOc1cc(Nc2cc(N)c(C#N)c(Cl)n2)ccc1-c1cnn(C)c1
InChIInChI=1S/C17H15ClN6O/c1-24-9-10(8-21-24)12-4-3-11(5-15(12)25-2)22-16-6-14(20)13(7-19)17(18)23-16/h3-6,8-9H,1-2H3,(H3,20,22,23)
InChIKeyIVRCEVNGZKMINF-UHFFFAOYSA-N
XLogP3.34
TPSA101.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-6-[3-methoxy-4-(1-methylpyrazol-4-yl)anilino]pyridine-3-carbonitrile?
The IUPAC name of 4-amino-2-chloro-6-[3-methoxy-4-(1-methylpyrazol-4-yl)anilino]pyridine-3-carbonitrile (CID 89105584) is 4-amino-2-chloro-6-[3-methoxy-4-(1-methylpyrazol-4-yl)anilino]pyridine-3-carbonitrile.
What is the SMILES notation for 4-amino-2-chloro-6-[3-methoxy-4-(1-methylpyrazol-4-yl)anilino]pyridine-3-carbonitrile?
The canonical SMILES for 4-amino-2-chloro-6-[3-methoxy-4-(1-methylpyrazol-4-yl)anilino]pyridine-3-carbonitrile is COc1cc(Nc2cc(N)c(C#N)c(Cl)n2)ccc1-c1cnn(C)c1.
What is the InChIKey of 4-amino-2-chloro-6-[3-methoxy-4-(1-methylpyrazol-4-yl)anilino]pyridine-3-carbonitrile?
The InChIKey is IVRCEVNGZKMINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN6O/c1-24-9-10(8-21-24)12-4-3-11(5-15(12)25-2)22-16-6-14(20)13(7-19)17(18)23-16/h3-6,8-9H,1-2H3,(H3,20,22,23).
What are the key properties of 4-amino-2-chloro-6-[3-methoxy-4-(1-methylpyrazol-4-yl)anilino]pyridine-3-carbonitrile?
4-amino-2-chloro-6-[3-methoxy-4-(1-methylpyrazol-4-yl)anilino]pyridine-3-carbonitrile has a molecular weight of 354.80 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-6-[3-methoxy-4-(1-methylpyrazol-4-yl)anilino]pyridine-3-carbonitrile is sourced from PubChem (CID 89105584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).