(3S,6S)-6-ethyl-N-[4-[5-fluoro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide

C24H32FN5O2 — CID 123967854

IUPAC(3S,6S)-6-ethyl-N-[4-[5-fluoro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide
SMILESCC[C@H]1CC[C@H](C(=O)Nc2cc(-c3ccc(F)c(NCC4CCOCC4)n3)ccn2)CN1
InChIInChI=1S/C24H32FN5O2/c1-2-19-4-3-18(15-27-19)24(31)30-22-13-17(7-10-26-22)21-6-5-20(25)23(29-21)28-14-16-8-11-32-12-9-16/h5-7,10,13,16,18-19,27H,2-4,8-9,11-12,14-15H2,1H3,(H,28,29)(H,26,30,31)/t18-,19-/m0/s1
InChIKeyOOPWFICZYDMMCN-OALUTQOASA-N
MW441.55 g/mol
LogP3.84
Rot. Bonds7

About (3S,6S)-6-ethyl-N-[4-[5-fluoro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide

(3S,6S)-6-ethyl-N-[4-[5-fluoro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 123967854) has the molecular formula C24H32FN5O2 and a molecular weight of 441.55 g/mol. Its IUPAC name is (3S,6S)-6-ethyl-N-[4-[5-fluoro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,6S)-6-ethyl-N-[4-[5-fluoro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide
PubChem CID123967854
Molecular FormulaC24H32FN5O2
Molecular Weight441.55 g/mol
Exact Mass441.25
IUPAC Name(3S,6S)-6-ethyl-N-[4-[5-fluoro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide
SMILESCC[C@H]1CC[C@H](C(=O)Nc2cc(-c3ccc(F)c(NCC4CCOCC4)n3)ccn2)CN1
InChIInChI=1S/C24H32FN5O2/c1-2-19-4-3-18(15-27-19)24(31)30-22-13-17(7-10-26-22)21-6-5-20(25)23(29-21)28-14-16-8-11-32-12-9-16/h5-7,10,13,16,18-19,27H,2-4,8-9,11-12,14-15H2,1H3,(H,28,29)(H,26,30,31)/t18-,19-/m0/s1
InChIKeyOOPWFICZYDMMCN-OALUTQOASA-N
XLogP3.84
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S,6S)-6-ethyl-N-[4-[5-fluoro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of (3S,6S)-6-ethyl-N-[4-[5-fluoro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide (CID 123967854) is (3S,6S)-6-ethyl-N-[4-[5-fluoro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S,6S)-6-ethyl-N-[4-[5-fluoro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for (3S,6S)-6-ethyl-N-[4-[5-fluoro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide is CC[C@H]1CC[C@H](C(=O)Nc2cc(-c3ccc(F)c(NCC4CCOCC4)n3)ccn2)CN1.
What is the InChIKey of (3S,6S)-6-ethyl-N-[4-[5-fluoro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is OOPWFICZYDMMCN-OALUTQOASA-N. The full InChI is InChI=1S/C24H32FN5O2/c1-2-19-4-3-18(15-27-19)24(31)30-22-13-17(7-10-26-22)21-6-5-20(25)23(29-21)28-14-16-8-11-32-12-9-16/h5-7,10,13,16,18-19,27H,2-4,8-9,11-12,14-15H2,1H3,(H,28,29)(H,26,30,31)/t18-,19-/m0/s1.
What are the key properties of (3S,6S)-6-ethyl-N-[4-[5-fluoro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide?
(3S,6S)-6-ethyl-N-[4-[5-fluoro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 441.55 g/mol, XLogP of 3.84, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-6-ethyl-N-[4-[5-fluoro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 123967854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).