2-[[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)piperidin-2-yl]-2-methyl-3H-pyridin-6-yl]methyl]-3-methylpyridine

C23H27ClN4 — CID 166909983

IUPAC2-[[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)piperidin-2-yl]-2-methyl-3H-pyridin-6-yl]methyl]-3-methylpyridine
SMILESCc1cccnc1CC1=NC(C)([C@H]2CCC[C@@H](c3ncccc3Cl)N2)CC=C1
InChIInChI=1S/C23H27ClN4/c1-16-7-5-13-25-20(16)15-17-8-4-12-23(2,28-17)21-11-3-10-19(27-21)22-18(24)9-6-14-26-22/h4-9,13-14,19,21,27H,3,10-12,15H2,1-2H3/t19-,21+,23?/m0/s1
InChIKeySMIUKNMFOMGOGV-ZPVUCFGCSA-N
MW394.95 g/mol
LogP5.02
Rot. Bonds4

About 2-[[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)piperidin-2-yl]-2-methyl-3H-pyridin-6-yl]methyl]-3-methylpyridine

2-[[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)piperidin-2-yl]-2-methyl-3H-pyridin-6-yl]methyl]-3-methylpyridine (PubChem CID 166909983) has the molecular formula C23H27ClN4 and a molecular weight of 394.95 g/mol. Its IUPAC name is 2-[[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)piperidin-2-yl]-2-methyl-3H-pyridin-6-yl]methyl]-3-methylpyridine.

Molecular Properties

Compound Name2-[[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)piperidin-2-yl]-2-methyl-3H-pyridin-6-yl]methyl]-3-methylpyridine
PubChem CID166909983
Molecular FormulaC23H27ClN4
Molecular Weight394.95 g/mol
Exact Mass394.19
IUPAC Name2-[[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)piperidin-2-yl]-2-methyl-3H-pyridin-6-yl]methyl]-3-methylpyridine
SMILESCc1cccnc1CC1=NC(C)([C@H]2CCC[C@@H](c3ncccc3Cl)N2)CC=C1
InChIInChI=1S/C23H27ClN4/c1-16-7-5-13-25-20(16)15-17-8-4-12-23(2,28-17)21-11-3-10-19(27-21)22-18(24)9-6-14-26-22/h4-9,13-14,19,21,27H,3,10-12,15H2,1-2H3/t19-,21+,23?/m0/s1
InChIKeySMIUKNMFOMGOGV-ZPVUCFGCSA-N
XLogP5.02
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.95
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)piperidin-2-yl]-2-methyl-3H-pyridin-6-yl]methyl]-3-methylpyridine with MolForge

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Related Compounds

N-[(3-methyl-2-pyridinyl)methyl]cyclobutanamine
CID 63305574
2-[2-bromo-2-(2-methylcyclopentyl)ethyl]-3-methylpyridine
CID 107186225
2-[(2S,6R)-6-(3-chloro-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 145424524
2-[(5-methyl-3,4-dihydropyridin-6-yl)methyl]-6-[(6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]pyridine
CID 162531886
2-(cyclopropylmethyl)-3-methylpyridine
CID 130382074
1-methyl-4-[2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridinyl]piperazine
CID 163885662
2-(3-methyl-2-pyridinyl)azepane
CID 81148387
trans-(1R,2R)-2-[(3-methyl-2-pyridinyl)methylamino]cyclopentan-1-ol
CID 102733463
CID 175793556
CID 175793556
2-[2-chloro-2-(2,2-dimethylcyclohexyl)ethyl]-3-methylpyridine
CID 107186199
2-[6-(3-chloro-2-pyridinyl)piperidin-2-yl]-4-(4-propan-2-ylpiperazin-1-yl)-1H-benzimidazole
CID 145424245
2-[(3-methyl-2-pyridinyl)methyl]cycloheptan-1-ol
CID 112651216

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)piperidin-2-yl]-2-methyl-3H-pyridin-6-yl]methyl]-3-methylpyridine?
The IUPAC name of 2-[[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)piperidin-2-yl]-2-methyl-3H-pyridin-6-yl]methyl]-3-methylpyridine (CID 166909983) is 2-[[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)piperidin-2-yl]-2-methyl-3H-pyridin-6-yl]methyl]-3-methylpyridine.
What is the SMILES notation for 2-[[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)piperidin-2-yl]-2-methyl-3H-pyridin-6-yl]methyl]-3-methylpyridine?
The canonical SMILES for 2-[[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)piperidin-2-yl]-2-methyl-3H-pyridin-6-yl]methyl]-3-methylpyridine is Cc1cccnc1CC1=NC(C)([C@H]2CCC[C@@H](c3ncccc3Cl)N2)CC=C1.
What is the InChIKey of 2-[[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)piperidin-2-yl]-2-methyl-3H-pyridin-6-yl]methyl]-3-methylpyridine?
The InChIKey is SMIUKNMFOMGOGV-ZPVUCFGCSA-N. The full InChI is InChI=1S/C23H27ClN4/c1-16-7-5-13-25-20(16)15-17-8-4-12-23(2,28-17)21-11-3-10-19(27-21)22-18(24)9-6-14-26-22/h4-9,13-14,19,21,27H,3,10-12,15H2,1-2H3/t19-,21+,23?/m0/s1.
What are the key properties of 2-[[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)piperidin-2-yl]-2-methyl-3H-pyridin-6-yl]methyl]-3-methylpyridine?
2-[[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)piperidin-2-yl]-2-methyl-3H-pyridin-6-yl]methyl]-3-methylpyridine has a molecular weight of 394.95 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)piperidin-2-yl]-2-methyl-3H-pyridin-6-yl]methyl]-3-methylpyridine is sourced from PubChem (CID 166909983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).