N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-4,6-dimethylpyridine-2-carboxamide

C27H36N4O2 — CID 118521953

IUPACN-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-4,6-dimethylpyridine-2-carboxamide
SMILESCc1cc(C)nc(C(=O)Nc2cccc(CN3CCC(C(=O)NC4CCCCC4)CC3)c2)c1
InChIInChI=1S/C27H36N4O2/c1-19-15-20(2)28-25(16-19)27(33)30-24-10-6-7-21(17-24)18-31-13-11-22(12-14-31)26(32)29-23-8-4-3-5-9-23/h6-7,10,15-17,22-23H,3-5,8-9,11-14,18H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyGDPTZQRCWNHWNV-UHFFFAOYSA-N
MW448.61 g/mol
LogP4.61
Rot. Bonds6

About N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-4,6-dimethylpyridine-2-carboxamide

N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-4,6-dimethylpyridine-2-carboxamide (PubChem CID 118521953) has the molecular formula C27H36N4O2 and a molecular weight of 448.61 g/mol. Its IUPAC name is N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-4,6-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-4,6-dimethylpyridine-2-carboxamide
PubChem CID118521953
Molecular FormulaC27H36N4O2
Molecular Weight448.61 g/mol
Exact Mass448.28
IUPAC NameN-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-4,6-dimethylpyridine-2-carboxamide
SMILESCc1cc(C)nc(C(=O)Nc2cccc(CN3CCC(C(=O)NC4CCCCC4)CC3)c2)c1
InChIInChI=1S/C27H36N4O2/c1-19-15-20(2)28-25(16-19)27(33)30-24-10-6-7-21(17-24)18-31-13-11-22(12-14-31)26(32)29-23-8-4-3-5-9-23/h6-7,10,15-17,22-23H,3-5,8-9,11-14,18H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyGDPTZQRCWNHWNV-UHFFFAOYSA-N
XLogP4.61
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.61
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-4,6-dimethylpyridine-2-carboxamide?
The IUPAC name of N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-4,6-dimethylpyridine-2-carboxamide (CID 118521953) is N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-4,6-dimethylpyridine-2-carboxamide.
What is the SMILES notation for N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-4,6-dimethylpyridine-2-carboxamide?
The canonical SMILES for N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-4,6-dimethylpyridine-2-carboxamide is Cc1cc(C)nc(C(=O)Nc2cccc(CN3CCC(C(=O)NC4CCCCC4)CC3)c2)c1.
What is the InChIKey of N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-4,6-dimethylpyridine-2-carboxamide?
The InChIKey is GDPTZQRCWNHWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O2/c1-19-15-20(2)28-25(16-19)27(33)30-24-10-6-7-21(17-24)18-31-13-11-22(12-14-31)26(32)29-23-8-4-3-5-9-23/h6-7,10,15-17,22-23H,3-5,8-9,11-14,18H2,1-2H3,(H,29,32)(H,30,33).
What are the key properties of N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-4,6-dimethylpyridine-2-carboxamide?
N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-4,6-dimethylpyridine-2-carboxamide has a molecular weight of 448.61 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-4,6-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 118521953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).