N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]-5-phenylpyridine-3-carboxamide

C30H35N3O — CID 44526749

IUPACN-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]-5-phenylpyridine-3-carboxamide
SMILESCc1ccccc1C1CCN(C2CCC(NC(=O)c3cncc(-c4ccccc4)c3)CC2)CC1
InChIInChI=1S/C30H35N3O/c1-22-7-5-6-10-29(22)24-15-17-33(18-16-24)28-13-11-27(12-14-28)32-30(34)26-19-25(20-31-21-26)23-8-3-2-4-9-23/h2-10,19-21,24,27-28H,11-18H2,1H3,(H,32,34)
InChIKeyTXOOKPGJJOVZOU-UHFFFAOYSA-N
MW453.63 g/mol
LogP5.98
Rot. Bonds5

About N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]-5-phenylpyridine-3-carboxamide

N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]-5-phenylpyridine-3-carboxamide (PubChem CID 44526749) has the molecular formula C30H35N3O and a molecular weight of 453.63 g/mol. Its IUPAC name is N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]-5-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]-5-phenylpyridine-3-carboxamide
PubChem CID44526749
Molecular FormulaC30H35N3O
Molecular Weight453.63 g/mol
Exact Mass453.28
IUPAC NameN-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]-5-phenylpyridine-3-carboxamide
SMILESCc1ccccc1C1CCN(C2CCC(NC(=O)c3cncc(-c4ccccc4)c3)CC2)CC1
InChIInChI=1S/C30H35N3O/c1-22-7-5-6-10-29(22)24-15-17-33(18-16-24)28-13-11-27(12-14-28)32-30(34)26-19-25(20-31-21-26)23-8-3-2-4-9-23/h2-10,19-21,24,27-28H,11-18H2,1H3,(H,32,34)
InChIKeyTXOOKPGJJOVZOU-UHFFFAOYSA-N
XLogP5.98
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.63
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]-5-phenylpyridine-3-carboxamide?
The IUPAC name of N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]-5-phenylpyridine-3-carboxamide (CID 44526749) is N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]-5-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]-5-phenylpyridine-3-carboxamide?
The canonical SMILES for N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]-5-phenylpyridine-3-carboxamide is Cc1ccccc1C1CCN(C2CCC(NC(=O)c3cncc(-c4ccccc4)c3)CC2)CC1.
What is the InChIKey of N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]-5-phenylpyridine-3-carboxamide?
The InChIKey is TXOOKPGJJOVZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O/c1-22-7-5-6-10-29(22)24-15-17-33(18-16-24)28-13-11-27(12-14-28)32-30(34)26-19-25(20-31-21-26)23-8-3-2-4-9-23/h2-10,19-21,24,27-28H,11-18H2,1H3,(H,32,34).
What are the key properties of N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]-5-phenylpyridine-3-carboxamide?
N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]-5-phenylpyridine-3-carboxamide has a molecular weight of 453.63 g/mol, XLogP of 5.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]-5-phenylpyridine-3-carboxamide is sourced from PubChem (CID 44526749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).