1-[4-[(2R)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholine-4-carbonyl]piperidin-1-yl]ethanone

C22H27N5O3 — CID 124976016

IUPAC1-[4-[(2R)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholine-4-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCO[C@@H](c3ccc(Nc4ccccn4)cn3)C2)CC1
InChIInChI=1S/C22H27N5O3/c1-16(28)26-10-7-17(8-11-26)22(29)27-12-13-30-20(15-27)19-6-5-18(14-24-19)25-21-4-2-3-9-23-21/h2-6,9,14,17,20H,7-8,10-13,15H2,1H3,(H,23,25)/t20-/m1/s1
InChIKeyLCHQNXWRDGKUHI-HXUWFJFHSA-N
MW409.49 g/mol
LogP2.38
Rot. Bonds4

About 1-[4-[(2R)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholine-4-carbonyl]piperidin-1-yl]ethanone

1-[4-[(2R)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholine-4-carbonyl]piperidin-1-yl]ethanone (PubChem CID 124976016) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 1-[4-[(2R)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholine-4-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(2R)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholine-4-carbonyl]piperidin-1-yl]ethanone
PubChem CID124976016
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Name1-[4-[(2R)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholine-4-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCO[C@@H](c3ccc(Nc4ccccn4)cn3)C2)CC1
InChIInChI=1S/C22H27N5O3/c1-16(28)26-10-7-17(8-11-26)22(29)27-12-13-30-20(15-27)19-6-5-18(14-24-19)25-21-4-2-3-9-23-21/h2-6,9,14,17,20H,7-8,10-13,15H2,1H3,(H,23,25)/t20-/m1/s1
InChIKeyLCHQNXWRDGKUHI-HXUWFJFHSA-N
XLogP2.38
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[(2R)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholine-4-carbonyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

cyclohexyl-[(3R)-3-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
CID 95813574
3-(4-methoxyphenyl)-1-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 124961728
N-pyridin-2-yl-6-[(2R)-4-pyrimidin-2-ylmorpholin-2-yl]pyridin-3-amine
CID 124994337
(5-fluoro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 124967067
N,N-dimethyl-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholine-4-sulfonamide
CID 127249076
1-[4-(2-pyridin-4-ylmorpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 110102575
6-[(2R)-4-[(E)-2-methyl-3-phenylprop-2-enyl]morpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine
CID 125006392
cyclohexyl-[2-[6-(pyridin-3-ylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 110266021
6-[(2R)-4-(1-methylimidazol-4-yl)sulfonylmorpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine
CID 124942643
6-[(2S)-4-[(1-methylpyrazol-4-yl)methyl]morpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine
CID 124958285
6-[4-(3,4-dimethylphenyl)sulfonylmorpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine
CID 127249177
6-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine
CID 127249216

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2R)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholine-4-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(2R)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholine-4-carbonyl]piperidin-1-yl]ethanone (CID 124976016) is 1-[4-[(2R)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholine-4-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(2R)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholine-4-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(2R)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholine-4-carbonyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(C(=O)N2CCO[C@@H](c3ccc(Nc4ccccn4)cn3)C2)CC1.
What is the InChIKey of 1-[4-[(2R)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholine-4-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is LCHQNXWRDGKUHI-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-16(28)26-10-7-17(8-11-26)22(29)27-12-13-30-20(15-27)19-6-5-18(14-24-19)25-21-4-2-3-9-23-21/h2-6,9,14,17,20H,7-8,10-13,15H2,1H3,(H,23,25)/t20-/m1/s1.
What are the key properties of 1-[4-[(2R)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholine-4-carbonyl]piperidin-1-yl]ethanone?
1-[4-[(2R)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholine-4-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 409.49 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2R)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholine-4-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 124976016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).