(2S)-2-methyl-3-morpholin-4-yl-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one

C23H31N5O2 — CID 124966495

IUPAC(2S)-2-methyl-3-morpholin-4-yl-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one
SMILESC[C@@H](CN1CCOCC1)C(=O)N1CCC(c2cccc(Nc3ccccn3)n2)CC1
InChIInChI=1S/C23H31N5O2/c1-18(17-27-13-15-30-16-14-27)23(29)28-11-8-19(9-12-28)20-5-4-7-22(25-20)26-21-6-2-3-10-24-21/h2-7,10,18-19H,8-9,11-17H2,1H3,(H,24,25,26)/t18-/m0/s1
InChIKeyIMFZKHFGRBEHNG-SFHVURJKSA-N
MW409.53 g/mol
LogP2.89
Rot. Bonds6

About (2S)-2-methyl-3-morpholin-4-yl-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one

(2S)-2-methyl-3-morpholin-4-yl-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one (PubChem CID 124966495) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is (2S)-2-methyl-3-morpholin-4-yl-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-methyl-3-morpholin-4-yl-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one
PubChem CID124966495
Molecular FormulaC23H31N5O2
Molecular Weight409.53 g/mol
Exact Mass409.25
IUPAC Name(2S)-2-methyl-3-morpholin-4-yl-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one
SMILESC[C@@H](CN1CCOCC1)C(=O)N1CCC(c2cccc(Nc3ccccn3)n2)CC1
InChIInChI=1S/C23H31N5O2/c1-18(17-27-13-15-30-16-14-27)23(29)28-11-8-19(9-12-28)20-5-4-7-22(25-20)26-21-6-2-3-10-24-21/h2-7,10,18-19H,8-9,11-17H2,1H3,(H,24,25,26)/t18-/m0/s1
InChIKeyIMFZKHFGRBEHNG-SFHVURJKSA-N
XLogP2.89
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-3-morpholin-4-yl-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-methyl-3-morpholin-4-yl-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one (CID 124966495) is (2S)-2-methyl-3-morpholin-4-yl-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-methyl-3-morpholin-4-yl-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-methyl-3-morpholin-4-yl-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one is C[C@@H](CN1CCOCC1)C(=O)N1CCC(c2cccc(Nc3ccccn3)n2)CC1.
What is the InChIKey of (2S)-2-methyl-3-morpholin-4-yl-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one?
The InChIKey is IMFZKHFGRBEHNG-SFHVURJKSA-N. The full InChI is InChI=1S/C23H31N5O2/c1-18(17-27-13-15-30-16-14-27)23(29)28-11-8-19(9-12-28)20-5-4-7-22(25-20)26-21-6-2-3-10-24-21/h2-7,10,18-19H,8-9,11-17H2,1H3,(H,24,25,26)/t18-/m0/s1.
What are the key properties of (2S)-2-methyl-3-morpholin-4-yl-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one?
(2S)-2-methyl-3-morpholin-4-yl-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one has a molecular weight of 409.53 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-3-morpholin-4-yl-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 124966495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).