1-[3-chloro-5-[(2S)-1-hydroxypropan-2-yl]-2-pyridinyl]-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide

C21H24ClN3O2 — CID 90206009

IUPAC1-[3-chloro-5-[(2S)-1-hydroxypropan-2-yl]-2-pyridinyl]-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)C2=CCN(c3ncc([C@H](C)CO)cc3Cl)CC2)cc1
InChIInChI=1S/C21H24ClN3O2/c1-14-3-5-18(6-4-14)24-21(27)16-7-9-25(10-8-16)20-19(22)11-17(12-23-20)15(2)13-26/h3-7,11-12,15,26H,8-10,13H2,1-2H3,(H,24,27)/t15-/m1/s1
InChIKeyWUTWROAAWSEAEP-OAHLLOKOSA-N
MW385.90 g/mol
LogP3.91
Rot. Bonds5

About 1-[3-chloro-5-[(2S)-1-hydroxypropan-2-yl]-2-pyridinyl]-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide

1-[3-chloro-5-[(2S)-1-hydroxypropan-2-yl]-2-pyridinyl]-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 90206009) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is 1-[3-chloro-5-[(2S)-1-hydroxypropan-2-yl]-2-pyridinyl]-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound Name1-[3-chloro-5-[(2S)-1-hydroxypropan-2-yl]-2-pyridinyl]-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID90206009
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name1-[3-chloro-5-[(2S)-1-hydroxypropan-2-yl]-2-pyridinyl]-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)C2=CCN(c3ncc([C@H](C)CO)cc3Cl)CC2)cc1
InChIInChI=1S/C21H24ClN3O2/c1-14-3-5-18(6-4-14)24-21(27)16-7-9-25(10-8-16)20-19(22)11-17(12-23-20)15(2)13-26/h3-7,11-12,15,26H,8-10,13H2,1-2H3,(H,24,27)/t15-/m1/s1
InChIKeyWUTWROAAWSEAEP-OAHLLOKOSA-N
XLogP3.91
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-methyl-3,6-dihydro-2H-pyridine-4-carboxamide
CID 59334805
4-[3-chloro-5-(1-hydroxypropan-2-yl)-2-pyridinyl]-2-methyl-N-(4-methylphenyl)piperazine-1-carboxamide
CID 90205997
1-[3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-(3-chloro-4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide
CID 90380907
1-[5-[(1R)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 59334816
N-(4-tert-butylphenyl)-1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide
CID 11474160
3-[[1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carbonyl]amino]benzoic acid
CID 70796553
1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethylsulfonyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 11247815
1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 11280957
1-(5-bromo-3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 59334817
1-N-ethyl-4-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1,4-dicarboxamide
CID 53016583
1-[5-(1,2-dihydroxyethyl)-3-fluoro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 77459776
N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 11294332

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-[(2S)-1-hydroxypropan-2-yl]-2-pyridinyl]-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of 1-[3-chloro-5-[(2S)-1-hydroxypropan-2-yl]-2-pyridinyl]-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide (CID 90206009) is 1-[3-chloro-5-[(2S)-1-hydroxypropan-2-yl]-2-pyridinyl]-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for 1-[3-chloro-5-[(2S)-1-hydroxypropan-2-yl]-2-pyridinyl]-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for 1-[3-chloro-5-[(2S)-1-hydroxypropan-2-yl]-2-pyridinyl]-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide is Cc1ccc(NC(=O)C2=CCN(c3ncc([C@H](C)CO)cc3Cl)CC2)cc1.
What is the InChIKey of 1-[3-chloro-5-[(2S)-1-hydroxypropan-2-yl]-2-pyridinyl]-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is WUTWROAAWSEAEP-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-14-3-5-18(6-4-14)24-21(27)16-7-9-25(10-8-16)20-19(22)11-17(12-23-20)15(2)13-26/h3-7,11-12,15,26H,8-10,13H2,1-2H3,(H,24,27)/t15-/m1/s1.
What are the key properties of 1-[3-chloro-5-[(2S)-1-hydroxypropan-2-yl]-2-pyridinyl]-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
1-[3-chloro-5-[(2S)-1-hydroxypropan-2-yl]-2-pyridinyl]-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 385.90 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-[(2S)-1-hydroxypropan-2-yl]-2-pyridinyl]-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 90206009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).