N-[3-[4-[(5-fluoro-1H-indol-2-yl)methylamino]piperidin-1-yl]phenyl]pyridine-3-carboxamide

C26H26FN5O — CID 126464435

IUPACN-[3-[4-[(5-fluoro-1H-indol-2-yl)methylamino]piperidin-1-yl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(N2CCC(NCc3cc4cc(F)ccc4[nH]3)CC2)c1)c1cccnc1
InChIInChI=1S/C26H26FN5O/c27-20-6-7-25-19(13-20)14-23(30-25)17-29-21-8-11-32(12-9-21)24-5-1-4-22(15-24)31-26(33)18-3-2-10-28-16-18/h1-7,10,13-16,21,29-30H,8-9,11-12,17H2,(H,31,33)
InChIKeyXWWJCCDJRDMNJY-UHFFFAOYSA-N
MW443.53 g/mol
LogP4.71
Rot. Bonds6

About N-[3-[4-[(5-fluoro-1H-indol-2-yl)methylamino]piperidin-1-yl]phenyl]pyridine-3-carboxamide

N-[3-[4-[(5-fluoro-1H-indol-2-yl)methylamino]piperidin-1-yl]phenyl]pyridine-3-carboxamide (PubChem CID 126464435) has the molecular formula C26H26FN5O and a molecular weight of 443.53 g/mol. Its IUPAC name is N-[3-[4-[(5-fluoro-1H-indol-2-yl)methylamino]piperidin-1-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[4-[(5-fluoro-1H-indol-2-yl)methylamino]piperidin-1-yl]phenyl]pyridine-3-carboxamide
PubChem CID126464435
Molecular FormulaC26H26FN5O
Molecular Weight443.53 g/mol
Exact Mass443.21
IUPAC NameN-[3-[4-[(5-fluoro-1H-indol-2-yl)methylamino]piperidin-1-yl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(N2CCC(NCc3cc4cc(F)ccc4[nH]3)CC2)c1)c1cccnc1
InChIInChI=1S/C26H26FN5O/c27-20-6-7-25-19(13-20)14-23(30-25)17-29-21-8-11-32(12-9-21)24-5-1-4-22(15-24)31-26(33)18-3-2-10-28-16-18/h1-7,10,13-16,21,29-30H,8-9,11-12,17H2,(H,31,33)
InChIKeyXWWJCCDJRDMNJY-UHFFFAOYSA-N
XLogP4.71
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(5-fluoro-1H-indol-2-yl)methylamino]piperidin-1-yl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[4-[(5-fluoro-1H-indol-2-yl)methylamino]piperidin-1-yl]phenyl]pyridine-3-carboxamide (CID 126464435) is N-[3-[4-[(5-fluoro-1H-indol-2-yl)methylamino]piperidin-1-yl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[4-[(5-fluoro-1H-indol-2-yl)methylamino]piperidin-1-yl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[4-[(5-fluoro-1H-indol-2-yl)methylamino]piperidin-1-yl]phenyl]pyridine-3-carboxamide is O=C(Nc1cccc(N2CCC(NCc3cc4cc(F)ccc4[nH]3)CC2)c1)c1cccnc1.
What is the InChIKey of N-[3-[4-[(5-fluoro-1H-indol-2-yl)methylamino]piperidin-1-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is XWWJCCDJRDMNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O/c27-20-6-7-25-19(13-20)14-23(30-25)17-29-21-8-11-32(12-9-21)24-5-1-4-22(15-24)31-26(33)18-3-2-10-28-16-18/h1-7,10,13-16,21,29-30H,8-9,11-12,17H2,(H,31,33).
What are the key properties of N-[3-[4-[(5-fluoro-1H-indol-2-yl)methylamino]piperidin-1-yl]phenyl]pyridine-3-carboxamide?
N-[3-[4-[(5-fluoro-1H-indol-2-yl)methylamino]piperidin-1-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 443.53 g/mol, XLogP of 4.71, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(5-fluoro-1H-indol-2-yl)methylamino]piperidin-1-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 126464435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).