4-N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-2,4-dicarboxamide;hydrochloride

C18H20Cl2N4O3 — CID 71087228

IUPAC4-N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-2,4-dicarboxamide;hydrochloride
SMILESCc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2Cl)cc(C(N)=O)n1.Cl
InChIInChI=1S/C18H19ClN4O3.ClH/c1-10-6-12(8-15(22-10)17(20)24)18(25)23-14-3-2-11(7-13(14)19)16-9-21-4-5-26-16;/h2-3,6-8,16,21H,4-5,9H2,1H3,(H2,20,24)(H,23,25);1H/t16-;/m1./s1
InChIKeyMRCNQMLUMVHNRK-PKLMIRHRSA-N
MW411.29 g/mol
LogP2.48
Rot. Bonds4

About 4-N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-2,4-dicarboxamide;hydrochloride

4-N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-2,4-dicarboxamide;hydrochloride (PubChem CID 71087228) has the molecular formula C18H20Cl2N4O3 and a molecular weight of 411.29 g/mol. Its IUPAC name is 4-N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-2,4-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name4-N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-2,4-dicarboxamide;hydrochloride
PubChem CID71087228
Molecular FormulaC18H20Cl2N4O3
Molecular Weight411.29 g/mol
Exact Mass410.09
IUPAC Name4-N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-2,4-dicarboxamide;hydrochloride
SMILESCc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2Cl)cc(C(N)=O)n1.Cl
InChIInChI=1S/C18H19ClN4O3.ClH/c1-10-6-12(8-15(22-10)17(20)24)18(25)23-14-3-2-11(7-13(14)19)16-9-21-4-5-26-16;/h2-3,6-8,16,21H,4-5,9H2,1H3,(H2,20,24)(H,23,25);1H/t16-;/m1./s1
InChIKeyMRCNQMLUMVHNRK-PKLMIRHRSA-N
XLogP2.48
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.29
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-2,4-dicarboxamide;hydrochloride with MolForge

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Related Compounds

4-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-2,4-dicarboxamide;hydrochloride
CID 71087312
6-chloro-N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide
CID 71498835
N-(2-chloro-4-morpholin-2-ylphenyl)-6-cyanopyridine-2-carboxamide;hydrochloride
CID 71086990
N-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 71086815
N-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-2-cyano-6-methylpyridine-4-carboxamide
CID 71086740
1-(2-chloro-4-morpholin-2-ylphenyl)-3-(5-cyano-2-methoxyphenyl)urea
CID 71086858
1-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea
CID 71086894
N-(2,6-dichlorophenyl)-4-[(2S)-morpholin-2-yl]benzamide
CID 129387149
4-methoxy-N-(4-morpholin-2-ylphenyl)benzamide;hydrochloride
CID 67239468
4-chloro-2-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide
CID 130184022
2-amino-N-(2-chloro-4-iodophenyl)-6-methylpyridine-4-carboxamide
CID 107606088
2-(4-bromo-3-chlorophenyl)morpholine
CID 83745004

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-2,4-dicarboxamide;hydrochloride?
The IUPAC name of 4-N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-2,4-dicarboxamide;hydrochloride (CID 71087228) is 4-N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-2,4-dicarboxamide;hydrochloride.
What is the SMILES notation for 4-N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-2,4-dicarboxamide;hydrochloride?
The canonical SMILES for 4-N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-2,4-dicarboxamide;hydrochloride is Cc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2Cl)cc(C(N)=O)n1.Cl.
What is the InChIKey of 4-N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-2,4-dicarboxamide;hydrochloride?
The InChIKey is MRCNQMLUMVHNRK-PKLMIRHRSA-N. The full InChI is InChI=1S/C18H19ClN4O3.ClH/c1-10-6-12(8-15(22-10)17(20)24)18(25)23-14-3-2-11(7-13(14)19)16-9-21-4-5-26-16;/h2-3,6-8,16,21H,4-5,9H2,1H3,(H2,20,24)(H,23,25);1H/t16-;/m1./s1.
What are the key properties of 4-N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-2,4-dicarboxamide;hydrochloride?
4-N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-2,4-dicarboxamide;hydrochloride has a molecular weight of 411.29 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-2,4-dicarboxamide;hydrochloride is sourced from PubChem (CID 71087228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).