N-(2-bicyclo[2.2.1]heptanyl)-2-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide

C27H35N3O3 — CID 42867504

IUPACN-(2-bicyclo[2.2.1]heptanyl)-2-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
SMILESCOc1cccc(CN2CCC(c3nc(C)ccc3C(=O)NC3CC4CCC3C4)CC2)c1O
InChIInChI=1S/C27H35N3O3/c1-17-6-9-22(27(32)29-23-15-18-7-8-20(23)14-18)25(28-17)19-10-12-30(13-11-19)16-21-4-3-5-24(33-2)26(21)31/h3-6,9,18-20,23,31H,7-8,10-16H2,1-2H3,(H,29,32)
InChIKeyRDIADNXNLFJFON-UHFFFAOYSA-N
MW449.60 g/mol
LogP4.40
Rot. Bonds6

About N-(2-bicyclo[2.2.1]heptanyl)-2-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide

N-(2-bicyclo[2.2.1]heptanyl)-2-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide (PubChem CID 42867504) has the molecular formula C27H35N3O3 and a molecular weight of 449.60 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-2-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-2-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
PubChem CID42867504
Molecular FormulaC27H35N3O3
Molecular Weight449.60 g/mol
Exact Mass449.27
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-2-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
SMILESCOc1cccc(CN2CCC(c3nc(C)ccc3C(=O)NC3CC4CCC3C4)CC2)c1O
InChIInChI=1S/C27H35N3O3/c1-17-6-9-22(27(32)29-23-15-18-7-8-20(23)14-18)25(28-17)19-10-12-30(13-11-19)16-21-4-3-5-24(33-2)26(21)31/h3-6,9,18-20,23,31H,7-8,10-16H2,1-2H3,(H,29,32)
InChIKeyRDIADNXNLFJFON-UHFFFAOYSA-N
XLogP4.40
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-(2-bicyclo[2.2.1]heptanyl)-6-methyl-2-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 46068607
N-[(3-fluorophenyl)methyl]-2-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 42867550
N-(2-bicyclo[2.2.1]heptanyl)-2-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 42867171
N-[(2-methoxyphenyl)methyl]-2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 83287729
2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 46069191
2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 46068676
N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 42867558
2-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 46068698
1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 3884860
2-methoxy-6-[(4-methylpiperidin-1-yl)methyl]phenol;oxalic acid
CID 163328183
2-[1-(ethylcarbamoyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 42867441
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 46068597

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide (CID 42867504) is N-(2-bicyclo[2.2.1]heptanyl)-2-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-2-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-2-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide is COc1cccc(CN2CCC(c3nc(C)ccc3C(=O)NC3CC4CCC3C4)CC2)c1O.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-2-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide?
The InChIKey is RDIADNXNLFJFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O3/c1-17-6-9-22(27(32)29-23-15-18-7-8-20(23)14-18)25(28-17)19-10-12-30(13-11-19)16-21-4-3-5-24(33-2)26(21)31/h3-6,9,18-20,23,31H,7-8,10-16H2,1-2H3,(H,29,32).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-2-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide?
N-(2-bicyclo[2.2.1]heptanyl)-2-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide has a molecular weight of 449.60 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-2-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 42867504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).