1-[4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone

C23H30N4O3 — CID 110263923

IUPAC1-[4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone
SMILESNc1ccc(-c2ccc(C3CCN(C(=O)COCC4CCCCO4)CC3)nc2)cn1
InChIInChI=1S/C23H30N4O3/c24-22-7-5-19(14-26-22)18-4-6-21(25-13-18)17-8-10-27(11-9-17)23(28)16-29-15-20-3-1-2-12-30-20/h4-7,13-14,17,20H,1-3,8-12,15-16H2,(H2,24,26)
InChIKeyOCAULVVCRJVCFQ-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.02
Rot. Bonds6

About 1-[4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone

1-[4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone (PubChem CID 110263923) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 1-[4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone.

Molecular Properties

Compound Name1-[4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone
PubChem CID110263923
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name1-[4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone
SMILESNc1ccc(-c2ccc(C3CCN(C(=O)COCC4CCCCO4)CC3)nc2)cn1
InChIInChI=1S/C23H30N4O3/c24-22-7-5-19(14-26-22)18-4-6-21(25-13-18)17-8-10-27(11-9-17)23(28)16-29-15-20-3-1-2-12-30-20/h4-7,13-14,17,20H,1-3,8-12,15-16H2,(H2,24,26)
InChIKeyOCAULVVCRJVCFQ-UHFFFAOYSA-N
XLogP3.02
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]piperidin-1-yl]-2-(oxolan-2-ylmethoxy)ethanone
CID 110263919
4-(4-fluorophenyl)-2-[1-[2-(oxan-2-ylmethoxy)acetyl]piperidin-4-yl]-1H-imidazole-5-carboxamide
CID 155983104
7-[2-[[(2S)-oxan-2-yl]methoxy]acetyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
CID 95220003
1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone
CID 99971048
2-(oxan-2-ylmethoxy)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
CID 70729669
4-ethyl-2-methyl-5-[1-[2-(oxan-2-ylmethoxy)acetyl]piperidin-4-yl]-1,2,4-triazol-3-one
CID 56710278
1-[4-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone
CID 92567746
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone
CID 124754048
2-(oxan-2-ylmethoxy)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 72888083
1-[4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-[(4-methoxyphenyl)methyl-methylamino]ethanone
CID 92615506
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]ethanone
CID 96573319
1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone
CID 91832507

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone?
The IUPAC name of 1-[4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone (CID 110263923) is 1-[4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone.
What is the SMILES notation for 1-[4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone?
The canonical SMILES for 1-[4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone is Nc1ccc(-c2ccc(C3CCN(C(=O)COCC4CCCCO4)CC3)nc2)cn1.
What is the InChIKey of 1-[4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone?
The InChIKey is OCAULVVCRJVCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c24-22-7-5-19(14-26-22)18-4-6-21(25-13-18)17-8-10-27(11-9-17)23(28)16-29-15-20-3-1-2-12-30-20/h4-7,13-14,17,20H,1-3,8-12,15-16H2,(H2,24,26).
What are the key properties of 1-[4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone?
1-[4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone has a molecular weight of 410.52 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone is sourced from PubChem (CID 110263923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).