4-[2-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]acetyl]-6-methylpyridine-2-carbonitrile;hydrochloride

C19H19Cl2N3O2 — CID 160904594

IUPAC4-[2-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]acetyl]-6-methylpyridine-2-carbonitrile;hydrochloride
SMILESCc1cc(C(=O)Cc2ccc([C@H]3CNCCO3)c(Cl)c2)cc(C#N)n1.Cl
InChIInChI=1S/C19H18ClN3O2.ClH/c1-12-6-14(9-15(10-21)23-12)18(24)8-13-2-3-16(17(20)7-13)19-11-22-4-5-25-19;/h2-3,6-7,9,19,22H,4-5,8,11H2,1H3;1H/t19-;/m1./s1
InChIKeyYFZJPILLKCLKHC-FSRHSHDFSA-N
MW392.29 g/mol
LogP3.42
Rot. Bonds4

About 4-[2-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]acetyl]-6-methylpyridine-2-carbonitrile;hydrochloride

4-[2-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]acetyl]-6-methylpyridine-2-carbonitrile;hydrochloride (PubChem CID 160904594) has the molecular formula C19H19Cl2N3O2 and a molecular weight of 392.29 g/mol. Its IUPAC name is 4-[2-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]acetyl]-6-methylpyridine-2-carbonitrile;hydrochloride.

Molecular Properties

Compound Name4-[2-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]acetyl]-6-methylpyridine-2-carbonitrile;hydrochloride
PubChem CID160904594
Molecular FormulaC19H19Cl2N3O2
Molecular Weight392.29 g/mol
Exact Mass391.09
IUPAC Name4-[2-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]acetyl]-6-methylpyridine-2-carbonitrile;hydrochloride
SMILESCc1cc(C(=O)Cc2ccc([C@H]3CNCCO3)c(Cl)c2)cc(C#N)n1.Cl
InChIInChI=1S/C19H18ClN3O2.ClH/c1-12-6-14(9-15(10-21)23-12)18(24)8-13-2-3-16(17(20)7-13)19-11-22-4-5-25-19;/h2-3,6-7,9,19,22H,4-5,8,11H2,1H3;1H/t19-;/m1./s1
InChIKeyYFZJPILLKCLKHC-FSRHSHDFSA-N
XLogP3.42
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]acetyl]-6-methylpyridine-2-carbonitrile;hydrochloride?
The IUPAC name of 4-[2-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]acetyl]-6-methylpyridine-2-carbonitrile;hydrochloride (CID 160904594) is 4-[2-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]acetyl]-6-methylpyridine-2-carbonitrile;hydrochloride.
What is the SMILES notation for 4-[2-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]acetyl]-6-methylpyridine-2-carbonitrile;hydrochloride?
The canonical SMILES for 4-[2-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]acetyl]-6-methylpyridine-2-carbonitrile;hydrochloride is Cc1cc(C(=O)Cc2ccc([C@H]3CNCCO3)c(Cl)c2)cc(C#N)n1.Cl.
What is the InChIKey of 4-[2-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]acetyl]-6-methylpyridine-2-carbonitrile;hydrochloride?
The InChIKey is YFZJPILLKCLKHC-FSRHSHDFSA-N. The full InChI is InChI=1S/C19H18ClN3O2.ClH/c1-12-6-14(9-15(10-21)23-12)18(24)8-13-2-3-16(17(20)7-13)19-11-22-4-5-25-19;/h2-3,6-7,9,19,22H,4-5,8,11H2,1H3;1H/t19-;/m1./s1.
What are the key properties of 4-[2-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]acetyl]-6-methylpyridine-2-carbonitrile;hydrochloride?
4-[2-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]acetyl]-6-methylpyridine-2-carbonitrile;hydrochloride has a molecular weight of 392.29 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]acetyl]-6-methylpyridine-2-carbonitrile;hydrochloride is sourced from PubChem (CID 160904594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).