N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide

C24H28FN3O — CID 67268177

IUPACN-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
SMILESO=C(NC1CCN(CC2CC=CCC2)CC1)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C24H28FN3O/c25-21-8-4-7-19(15-21)23-10-9-20(16-26-23)24(29)27-22-11-13-28(14-12-22)17-18-5-2-1-3-6-18/h1-2,4,7-10,15-16,18,22H,3,5-6,11-14,17H2,(H,27,29)
InChIKeyRWGODLRQDDRVSI-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.44
Rot. Bonds5

About N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide

N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide (PubChem CID 67268177) has the molecular formula C24H28FN3O and a molecular weight of 393.51 g/mol. Its IUPAC name is N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
PubChem CID67268177
Molecular FormulaC24H28FN3O
Molecular Weight393.51 g/mol
Exact Mass393.22
IUPAC NameN-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
SMILESO=C(NC1CCN(CC2CC=CCC2)CC1)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C24H28FN3O/c25-21-8-4-7-19(15-21)23-10-9-20(16-26-23)24(29)27-22-11-13-28(14-12-22)17-18-5-2-1-3-6-18/h1-2,4,7-10,15-16,18,22H,3,5-6,11-14,17H2,(H,27,29)
InChIKeyRWGODLRQDDRVSI-UHFFFAOYSA-N
XLogP4.44
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[4-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]cyclohexyl]carbamate
CID 91011267
N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 67267093
4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]butylcarbamic acid
CID 67267712
6-(3-fluorophenyl)-N-[1-[(4-pyrimidin-2-ylphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 67268686
N-[1-[(2-cyanophenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 67268195
6-(3-fluorophenyl)-N-[1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 67268324
6-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]pyridazine-3-carboxamide
CID 91187422
6-(3-fluorophenyl)-N-[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 67268004
6-(3-fluorophenyl)-N-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 67267267
2-[4-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]pyrazol-1-yl]acetic acid
CID 69295626
6-(3-fluorophenyl)-N-[1-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 67267219
6-(3-fluorophenyl)-N-[1-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 67268736

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide (CID 67268177) is N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide is O=C(NC1CCN(CC2CC=CCC2)CC1)c1ccc(-c2cccc(F)c2)nc1.
What is the InChIKey of N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is RWGODLRQDDRVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O/c25-21-8-4-7-19(15-21)23-10-9-20(16-26-23)24(29)27-22-11-13-28(14-12-22)17-18-5-2-1-3-6-18/h1-2,4,7-10,15-16,18,22H,3,5-6,11-14,17H2,(H,27,29).
What are the key properties of N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 393.51 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 67268177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).