N-[4-tert-butyl-3-(piperidin-4-ylmethoxy)phenyl]-2-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide

C29H35FN4O2 — CID 10206683

IUPACN-[4-tert-butyl-3-(piperidin-4-ylmethoxy)phenyl]-2-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2cccnc2NCc2ccc(F)cc2)cc1OCC1CCNCC1
InChIInChI=1S/C29H35FN4O2/c1-29(2,3)25-11-10-23(17-26(25)36-19-21-12-15-31-16-13-21)34-28(35)24-5-4-14-32-27(24)33-18-20-6-8-22(30)9-7-20/h4-11,14,17,21,31H,12-13,15-16,18-19H2,1-3H3,(H,32,33)(H,34,35)
InChIKeyYHXSRFARPGLOPS-UHFFFAOYSA-N
MW490.62 g/mol
LogP5.76
Rot. Bonds8

About N-[4-tert-butyl-3-(piperidin-4-ylmethoxy)phenyl]-2-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide

N-[4-tert-butyl-3-(piperidin-4-ylmethoxy)phenyl]-2-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide (PubChem CID 10206683) has the molecular formula C29H35FN4O2 and a molecular weight of 490.62 g/mol. Its IUPAC name is N-[4-tert-butyl-3-(piperidin-4-ylmethoxy)phenyl]-2-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-tert-butyl-3-(piperidin-4-ylmethoxy)phenyl]-2-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
PubChem CID10206683
Molecular FormulaC29H35FN4O2
Molecular Weight490.62 g/mol
Exact Mass490.27
IUPAC NameN-[4-tert-butyl-3-(piperidin-4-ylmethoxy)phenyl]-2-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2cccnc2NCc2ccc(F)cc2)cc1OCC1CCNCC1
InChIInChI=1S/C29H35FN4O2/c1-29(2,3)25-11-10-23(17-26(25)36-19-21-12-15-31-16-13-21)34-28(35)24-5-4-14-32-27(24)33-18-20-6-8-22(30)9-7-20/h4-11,14,17,21,31H,12-13,15-16,18-19H2,1-3H3,(H,32,33)(H,34,35)
InChIKeyYHXSRFARPGLOPS-UHFFFAOYSA-N
XLogP5.76
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.62
LogP ≤ 55.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-tert-butyl-3-(piperidin-4-ylmethoxy)phenyl]-2-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of N-[4-tert-butyl-3-(piperidin-4-ylmethoxy)phenyl]-2-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide (CID 10206683) is N-[4-tert-butyl-3-(piperidin-4-ylmethoxy)phenyl]-2-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-tert-butyl-3-(piperidin-4-ylmethoxy)phenyl]-2-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-[4-tert-butyl-3-(piperidin-4-ylmethoxy)phenyl]-2-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide is CC(C)(C)c1ccc(NC(=O)c2cccnc2NCc2ccc(F)cc2)cc1OCC1CCNCC1.
What is the InChIKey of N-[4-tert-butyl-3-(piperidin-4-ylmethoxy)phenyl]-2-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide?
The InChIKey is YHXSRFARPGLOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35FN4O2/c1-29(2,3)25-11-10-23(17-26(25)36-19-21-12-15-31-16-13-21)34-28(35)24-5-4-14-32-27(24)33-18-20-6-8-22(30)9-7-20/h4-11,14,17,21,31H,12-13,15-16,18-19H2,1-3H3,(H,32,33)(H,34,35).
What are the key properties of N-[4-tert-butyl-3-(piperidin-4-ylmethoxy)phenyl]-2-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide?
N-[4-tert-butyl-3-(piperidin-4-ylmethoxy)phenyl]-2-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide has a molecular weight of 490.62 g/mol, XLogP of 5.76, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-tert-butyl-3-(piperidin-4-ylmethoxy)phenyl]-2-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 10206683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).