5-[[(R)-(4-chlorophenyl)-(1-methylpyrazol-3-yl)methyl]amino]pyridine-2-carbonitrile

C17H14ClN5 — CID 124887299

IUPAC5-[[(R)-(4-chlorophenyl)-(1-methylpyrazol-3-yl)methyl]amino]pyridine-2-carbonitrile
SMILESCn1ccc([C@H](Nc2ccc(C#N)nc2)c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H14ClN5/c1-23-9-8-16(22-23)17(12-2-4-13(18)5-3-12)21-15-7-6-14(10-19)20-11-15/h2-9,11,17,21H,1H3/t17-/m1/s1
InChIKeyORQPVQSHKYMNDN-QGZVFWFLSA-N
MW323.79 g/mol
LogP3.54
Rot. Bonds4

About 5-[[(R)-(4-chlorophenyl)-(1-methylpyrazol-3-yl)methyl]amino]pyridine-2-carbonitrile

5-[[(R)-(4-chlorophenyl)-(1-methylpyrazol-3-yl)methyl]amino]pyridine-2-carbonitrile (PubChem CID 124887299) has the molecular formula C17H14ClN5 and a molecular weight of 323.79 g/mol. Its IUPAC name is 5-[[(R)-(4-chlorophenyl)-(1-methylpyrazol-3-yl)methyl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[(R)-(4-chlorophenyl)-(1-methylpyrazol-3-yl)methyl]amino]pyridine-2-carbonitrile
PubChem CID124887299
Molecular FormulaC17H14ClN5
Molecular Weight323.79 g/mol
Exact Mass323.09
IUPAC Name5-[[(R)-(4-chlorophenyl)-(1-methylpyrazol-3-yl)methyl]amino]pyridine-2-carbonitrile
SMILESCn1ccc([C@H](Nc2ccc(C#N)nc2)c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H14ClN5/c1-23-9-8-16(22-23)17(12-2-4-13(18)5-3-12)21-15-7-6-14(10-19)20-11-15/h2-9,11,17,21H,1H3/t17-/m1/s1
InChIKeyORQPVQSHKYMNDN-QGZVFWFLSA-N
XLogP3.54
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.79
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[(R)-(4-chlorophenyl)-(1-methylpyrazol-3-yl)methyl]amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[[(R)-(4-chlorophenyl)-(1-methylpyrazol-3-yl)methyl]amino]pyridine-2-carbonitrile (CID 124887299) is 5-[[(R)-(4-chlorophenyl)-(1-methylpyrazol-3-yl)methyl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[[(R)-(4-chlorophenyl)-(1-methylpyrazol-3-yl)methyl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[[(R)-(4-chlorophenyl)-(1-methylpyrazol-3-yl)methyl]amino]pyridine-2-carbonitrile is Cn1ccc([C@H](Nc2ccc(C#N)nc2)c2ccc(Cl)cc2)n1.
What is the InChIKey of 5-[[(R)-(4-chlorophenyl)-(1-methylpyrazol-3-yl)methyl]amino]pyridine-2-carbonitrile?
The InChIKey is ORQPVQSHKYMNDN-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H14ClN5/c1-23-9-8-16(22-23)17(12-2-4-13(18)5-3-12)21-15-7-6-14(10-19)20-11-15/h2-9,11,17,21H,1H3/t17-/m1/s1.
What are the key properties of 5-[[(R)-(4-chlorophenyl)-(1-methylpyrazol-3-yl)methyl]amino]pyridine-2-carbonitrile?
5-[[(R)-(4-chlorophenyl)-(1-methylpyrazol-3-yl)methyl]amino]pyridine-2-carbonitrile has a molecular weight of 323.79 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(R)-(4-chlorophenyl)-(1-methylpyrazol-3-yl)methyl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 124887299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).