(3S,6R)-N-[5-chloro-4-[5-fluoro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-6-ethylpiperidine-3-carboxamide

C24H31ClFN5O2 — CID 123829402

IUPAC(3S,6R)-N-[5-chloro-4-[5-fluoro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-6-ethylpiperidine-3-carboxamide
SMILESCC[C@@H]1CC[C@H](C(=O)Nc2cc(-c3ccc(F)c(NCC4CCOCC4)n3)c(Cl)cn2)CN1
InChIInChI=1S/C24H31ClFN5O2/c1-2-17-4-3-16(13-27-17)24(32)31-22-11-18(19(25)14-28-22)21-6-5-20(26)23(30-21)29-12-15-7-9-33-10-8-15/h5-6,11,14-17,27H,2-4,7-10,12-13H2,1H3,(H,29,30)(H,28,31,32)/t16-,17+/m0/s1
InChIKeyYWUXQYNDBOSKHX-DLBZAZTESA-N
MW476.00 g/mol
LogP4.49
Rot. Bonds7

About (3S,6R)-N-[5-chloro-4-[5-fluoro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-6-ethylpiperidine-3-carboxamide

(3S,6R)-N-[5-chloro-4-[5-fluoro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-6-ethylpiperidine-3-carboxamide (PubChem CID 123829402) has the molecular formula C24H31ClFN5O2 and a molecular weight of 476.00 g/mol. Its IUPAC name is (3S,6R)-N-[5-chloro-4-[5-fluoro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-6-ethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,6R)-N-[5-chloro-4-[5-fluoro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-6-ethylpiperidine-3-carboxamide
PubChem CID123829402
Molecular FormulaC24H31ClFN5O2
Molecular Weight476.00 g/mol
Exact Mass475.22
IUPAC Name(3S,6R)-N-[5-chloro-4-[5-fluoro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-6-ethylpiperidine-3-carboxamide
SMILESCC[C@@H]1CC[C@H](C(=O)Nc2cc(-c3ccc(F)c(NCC4CCOCC4)n3)c(Cl)cn2)CN1
InChIInChI=1S/C24H31ClFN5O2/c1-2-17-4-3-16(13-27-17)24(32)31-22-11-18(19(25)14-28-22)21-6-5-20(26)23(30-21)29-12-15-7-9-33-10-8-15/h5-6,11,14-17,27H,2-4,7-10,12-13H2,1H3,(H,29,30)(H,28,31,32)/t16-,17+/m0/s1
InChIKeyYWUXQYNDBOSKHX-DLBZAZTESA-N
XLogP4.49
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.00
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (3S,6R)-N-[5-chloro-4-[5-fluoro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-6-ethylpiperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[5-chloro-4-[5-fluoro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-6-ethylpiperidine-3-carboxamide
CID 75596536
(3S,6S)-6-ethyl-N-[4-[5-fluoro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide
CID 123967854
N-[5-chloro-4-[4-ethyl-6-fluoro-5-(oxan-4-ylmethylamino)-3-pyridinyl]-2-pyridinyl]-6-ethylpiperidine-3-carboxamide
CID 123580925
N-[5-chloro-4-[6-[[(4R)-2,2-dimethyloxan-4-yl]methylamino]-5-fluoro-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide
CID 50991962
(3S,6R)-N-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-6-(trifluoromethyl)piperidine-3-carboxamide
CID 123426883
(3S)-N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 67033459
N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1,4-oxazepane-6-carboxamide
CID 77407667
N-[5-chloro-4-[3-chloro-6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-3-(methanesulfonamido)cyclopentane-1-carboxamide
CID 123874054
N-[5-chloro-4-[4-fluoro-3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-4-methoxypyrrolidine-3-carboxamide
CID 77401904
N-[5-chloro-4-[3-fluoro-6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1,4-oxazepane-6-carboxamide
CID 77407659
6-[5-chloro-2-[[4-(oxetan-2-ylmethylamino)cyclohexyl]methyl]-4-pyridinyl]-3-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 58127137
N-[5-chloro-4-[6-[[(2R,6S)-2,6-dimethyloxan-4-yl]methylamino]-2-pyridinyl]-2-pyridinyl]pyrrolidine-3-carboxamide
CID 67221380

Frequently Asked Questions

What is the IUPAC name of (3S,6R)-N-[5-chloro-4-[5-fluoro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-6-ethylpiperidine-3-carboxamide?
The IUPAC name of (3S,6R)-N-[5-chloro-4-[5-fluoro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-6-ethylpiperidine-3-carboxamide (CID 123829402) is (3S,6R)-N-[5-chloro-4-[5-fluoro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-6-ethylpiperidine-3-carboxamide.
What is the SMILES notation for (3S,6R)-N-[5-chloro-4-[5-fluoro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-6-ethylpiperidine-3-carboxamide?
The canonical SMILES for (3S,6R)-N-[5-chloro-4-[5-fluoro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-6-ethylpiperidine-3-carboxamide is CC[C@@H]1CC[C@H](C(=O)Nc2cc(-c3ccc(F)c(NCC4CCOCC4)n3)c(Cl)cn2)CN1.
What is the InChIKey of (3S,6R)-N-[5-chloro-4-[5-fluoro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-6-ethylpiperidine-3-carboxamide?
The InChIKey is YWUXQYNDBOSKHX-DLBZAZTESA-N. The full InChI is InChI=1S/C24H31ClFN5O2/c1-2-17-4-3-16(13-27-17)24(32)31-22-11-18(19(25)14-28-22)21-6-5-20(26)23(30-21)29-12-15-7-9-33-10-8-15/h5-6,11,14-17,27H,2-4,7-10,12-13H2,1H3,(H,29,30)(H,28,31,32)/t16-,17+/m0/s1.
What are the key properties of (3S,6R)-N-[5-chloro-4-[5-fluoro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-6-ethylpiperidine-3-carboxamide?
(3S,6R)-N-[5-chloro-4-[5-fluoro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-6-ethylpiperidine-3-carboxamide has a molecular weight of 476.00 g/mol, XLogP of 4.49, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-N-[5-chloro-4-[5-fluoro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-6-ethylpiperidine-3-carboxamide is sourced from PubChem (CID 123829402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).