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

C23H31N5O2 — CID 123680055

IUPAC(3S,6S)-6-methyl-N-[4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide
SMILESC[C@H]1CC[C@H](C(=O)Nc2cc(-c3cccc(NCC4CCOCC4)n3)ccn2)CN1
InChIInChI=1S/C23H31N5O2/c1-16-5-6-19(15-25-16)23(29)28-22-13-18(7-10-24-22)20-3-2-4-21(27-20)26-14-17-8-11-30-12-9-17/h2-4,7,10,13,16-17,19,25H,5-6,8-9,11-12,14-15H2,1H3,(H,26,27)(H,24,28,29)/t16-,19-/m0/s1
InChIKeyCDQRJSVXDVAHQE-LPHOPBHVSA-N
MW409.53 g/mol
LogP3.31
Rot. Bonds6

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

(3S,6S)-6-methyl-N-[4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 123680055) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is (3S,6S)-6-methyl-N-[4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,6S)-6-methyl-N-[4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide
PubChem CID123680055
Molecular FormulaC23H31N5O2
Molecular Weight409.53 g/mol
Exact Mass409.25
IUPAC Name(3S,6S)-6-methyl-N-[4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide
SMILESC[C@H]1CC[C@H](C(=O)Nc2cc(-c3cccc(NCC4CCOCC4)n3)ccn2)CN1
InChIInChI=1S/C23H31N5O2/c1-16-5-6-19(15-25-16)23(29)28-22-13-18(7-10-24-22)20-3-2-4-21(27-20)26-14-17-8-11-30-12-9-17/h2-4,7,10,13,16-17,19,25H,5-6,8-9,11-12,14-15H2,1H3,(H,26,27)(H,24,28,29)/t16-,19-/m0/s1
InChIKeyCDQRJSVXDVAHQE-LPHOPBHVSA-N
XLogP3.31
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (3S,6S)-6-methyl-N-[4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3S,6S)-6-ethyl-N-[4-[5-fluoro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide
CID 123967854
2-[4-[6-[[(4S)-2,2-dimethyloxan-4-yl]methylamino]-2-pyridinyl]-2-pyridinyl]-1-[(3R,6R)-6-methylpiperidin-3-yl]ethanone
CID 58284653
(3S,6R)-N-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-6-(trifluoromethyl)piperidine-3-carboxamide
CID 123426883
N-[6-[6-(oxan-4-ylmethylamino)pyrimidin-4-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 123306855
N-[6-[2-(oxan-4-ylmethylamino)pyrimidin-4-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 123708142
N-[5-chloro-4-[6-[[(2R,6S)-2,6-dimethyloxan-4-yl]methylamino]-2-pyridinyl]-2-pyridinyl]pyrrolidine-3-carboxamide
CID 67221380
N-[4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]pyrimidin-2-yl]formamide
CID 123204622
(3S,6R)-N-[5-chloro-4-[5-fluoro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-6-ethylpiperidine-3-carboxamide
CID 123829402
N-[5-chloro-4-[5-fluoro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-6-ethylpiperidine-3-carboxamide
CID 75596536
2-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-1-[(3S,5S)-5-(fluoromethyl)pyrrolidin-3-yl]ethanone
CID 58284809
(3S)-N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 67033459
N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]oxolane-3-carboxamide
CID 138989340

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-6-methyl-N-[4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of (3S,6S)-6-methyl-N-[4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide (CID 123680055) is (3S,6S)-6-methyl-N-[4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S,6S)-6-methyl-N-[4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for (3S,6S)-6-methyl-N-[4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide is C[C@H]1CC[C@H](C(=O)Nc2cc(-c3cccc(NCC4CCOCC4)n3)ccn2)CN1.
What is the InChIKey of (3S,6S)-6-methyl-N-[4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is CDQRJSVXDVAHQE-LPHOPBHVSA-N. The full InChI is InChI=1S/C23H31N5O2/c1-16-5-6-19(15-25-16)23(29)28-22-13-18(7-10-24-22)20-3-2-4-21(27-20)26-14-17-8-11-30-12-9-17/h2-4,7,10,13,16-17,19,25H,5-6,8-9,11-12,14-15H2,1H3,(H,26,27)(H,24,28,29)/t16-,19-/m0/s1.
What are the key properties of (3S,6S)-6-methyl-N-[4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide?
(3S,6S)-6-methyl-N-[4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 3.31, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-6-methyl-N-[4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 123680055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).