2-chloro-4-[4-(2-methylpropyl)phenyl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile

C20H20ClN5 — CID 88956087

IUPAC2-chloro-4-[4-(2-methylpropyl)phenyl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile
SMILESCc1cc(Nc2cc(-c3ccc(CC(C)C)cc3)c(C#N)c(Cl)n2)n[nH]1
InChIInChI=1S/C20H20ClN5/c1-12(2)8-14-4-6-15(7-5-14)16-10-18(24-20(21)17(16)11-22)23-19-9-13(3)25-26-19/h4-7,9-10,12H,8H2,1-3H3,(H2,23,24,25,26)
InChIKeyGPDNKLIHIWLATP-UHFFFAOYSA-N
MW365.87 g/mol
LogP5.25
Rot. Bonds5

About 2-chloro-4-[4-(2-methylpropyl)phenyl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile

2-chloro-4-[4-(2-methylpropyl)phenyl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile (PubChem CID 88956087) has the molecular formula C20H20ClN5 and a molecular weight of 365.87 g/mol. Its IUPAC name is 2-chloro-4-[4-(2-methylpropyl)phenyl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-4-[4-(2-methylpropyl)phenyl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile
PubChem CID88956087
Molecular FormulaC20H20ClN5
Molecular Weight365.87 g/mol
Exact Mass365.14
IUPAC Name2-chloro-4-[4-(2-methylpropyl)phenyl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile
SMILESCc1cc(Nc2cc(-c3ccc(CC(C)C)cc3)c(C#N)c(Cl)n2)n[nH]1
InChIInChI=1S/C20H20ClN5/c1-12(2)8-14-4-6-15(7-5-14)16-10-18(24-20(21)17(16)11-22)23-19-9-13(3)25-26-19/h4-7,9-10,12H,8H2,1-3H3,(H2,23,24,25,26)
InChIKeyGPDNKLIHIWLATP-UHFFFAOYSA-N
XLogP5.25
TPSA77.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.87
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile
CID 11983545
3-chloro-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile
CID 164830024
2-chloro-6-[(3-ethoxy-1H-pyrazol-5-yl)amino]-4-methylpyridine-3-carbonitrile
CID 11983604
2-amino-6-[4-(2-methylpropyl)phenyl]-4-(4-octoxyphenyl)pyridine-3-carbonitrile
CID 5088898
4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-pyrimidin-2-yloxyethylamino)pyridine-3-carbonitrile
CID 67098729
4-(4-bromophenyl)-2-chloro-6-methylpyridine-3-carbonitrile
CID 82094973
2-amino-4-(3-bromophenyl)-6-[4-(2-methylpropyl)phenyl]pyridine-3-carbonitrile
CID 5088555
2-chloro-3-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]benzonitrile
CID 91800723
2-amino-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carbonitrile
CID 679608
2-amino-4-(3-methoxyphenyl)-6-[4-(2-methylpropyl)phenyl]pyridine-3-carbonitrile
CID 5088737
2-amino-6-[4-(2-methylpropyl)phenyl]-4-(1-methylpyrrol-2-yl)pyridine-3-carbonitrile
CID 5088548
4-[6-[4-(2-methylpropyl)anilino]-3-pyridinyl]benzonitrile
CID 166471244

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[4-(2-methylpropyl)phenyl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile?
The IUPAC name of 2-chloro-4-[4-(2-methylpropyl)phenyl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile (CID 88956087) is 2-chloro-4-[4-(2-methylpropyl)phenyl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-4-[4-(2-methylpropyl)phenyl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-4-[4-(2-methylpropyl)phenyl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile is Cc1cc(Nc2cc(-c3ccc(CC(C)C)cc3)c(C#N)c(Cl)n2)n[nH]1.
What is the InChIKey of 2-chloro-4-[4-(2-methylpropyl)phenyl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile?
The InChIKey is GPDNKLIHIWLATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5/c1-12(2)8-14-4-6-15(7-5-14)16-10-18(24-20(21)17(16)11-22)23-19-9-13(3)25-26-19/h4-7,9-10,12H,8H2,1-3H3,(H2,23,24,25,26).
What are the key properties of 2-chloro-4-[4-(2-methylpropyl)phenyl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile?
2-chloro-4-[4-(2-methylpropyl)phenyl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile has a molecular weight of 365.87 g/mol, XLogP of 5.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[4-(2-methylpropyl)phenyl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 88956087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).