N-[(1R,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-(piperidine-1-carbonyl)pyridine-4-carboxamide

C30H33FN4O2 — CID 44579665

IUPACN-[(1R,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-(piperidine-1-carbonyl)pyridine-4-carboxamide
SMILESO=C(NC1C[C@H]2CC[C@H](C1)N2Cc1ccc2cc(F)ccc2c1)c1ccncc1C(=O)N1CCCCC1
InChIInChI=1S/C30H33FN4O2/c31-23-7-6-21-14-20(4-5-22(21)15-23)19-35-25-8-9-26(35)17-24(16-25)33-29(36)27-10-11-32-18-28(27)30(37)34-12-2-1-3-13-34/h4-7,10-11,14-15,18,24-26H,1-3,8-9,12-13,16-17,19H2,(H,33,36)/t25-,26-/m1/s1
InChIKeyVMQJKUPIPIPSNI-CLJLJLNGSA-N
MW500.62 g/mol
LogP4.93
Rot. Bonds5

About N-[(1R,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-(piperidine-1-carbonyl)pyridine-4-carboxamide

N-[(1R,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-(piperidine-1-carbonyl)pyridine-4-carboxamide (PubChem CID 44579665) has the molecular formula C30H33FN4O2 and a molecular weight of 500.62 g/mol. Its IUPAC name is N-[(1R,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-(piperidine-1-carbonyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-(piperidine-1-carbonyl)pyridine-4-carboxamide
PubChem CID44579665
Molecular FormulaC30H33FN4O2
Molecular Weight500.62 g/mol
Exact Mass500.26
IUPAC NameN-[(1R,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-(piperidine-1-carbonyl)pyridine-4-carboxamide
SMILESO=C(NC1C[C@H]2CC[C@H](C1)N2Cc1ccc2cc(F)ccc2c1)c1ccncc1C(=O)N1CCCCC1
InChIInChI=1S/C30H33FN4O2/c31-23-7-6-21-14-20(4-5-22(21)15-23)19-35-25-8-9-26(35)17-24(16-25)33-29(36)27-10-11-32-18-28(27)30(37)34-12-2-1-3-13-34/h4-7,10-11,14-15,18,24-26H,1-3,8-9,12-13,16-17,19H2,(H,33,36)/t25-,26-/m1/s1
InChIKeyVMQJKUPIPIPSNI-CLJLJLNGSA-N
XLogP4.93
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.62
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-(piperidine-1-carbonyl)pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-(piperidine-1-carbonyl)pyridine-4-carboxamide?
The IUPAC name of N-[(1R,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-(piperidine-1-carbonyl)pyridine-4-carboxamide (CID 44579665) is N-[(1R,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-(piperidine-1-carbonyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[(1R,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-(piperidine-1-carbonyl)pyridine-4-carboxamide?
The canonical SMILES for N-[(1R,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-(piperidine-1-carbonyl)pyridine-4-carboxamide is O=C(NC1C[C@H]2CC[C@H](C1)N2Cc1ccc2cc(F)ccc2c1)c1ccncc1C(=O)N1CCCCC1.
What is the InChIKey of N-[(1R,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-(piperidine-1-carbonyl)pyridine-4-carboxamide?
The InChIKey is VMQJKUPIPIPSNI-CLJLJLNGSA-N. The full InChI is InChI=1S/C30H33FN4O2/c31-23-7-6-21-14-20(4-5-22(21)15-23)19-35-25-8-9-26(35)17-24(16-25)33-29(36)27-10-11-32-18-28(27)30(37)34-12-2-1-3-13-34/h4-7,10-11,14-15,18,24-26H,1-3,8-9,12-13,16-17,19H2,(H,33,36)/t25-,26-/m1/s1.
What are the key properties of N-[(1R,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-(piperidine-1-carbonyl)pyridine-4-carboxamide?
N-[(1R,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-(piperidine-1-carbonyl)pyridine-4-carboxamide has a molecular weight of 500.62 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-(piperidine-1-carbonyl)pyridine-4-carboxamide is sourced from PubChem (CID 44579665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).