1-[4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-[(4-methoxyphenyl)methyl-methylamino]ethanone

C26H31N5O2 — CID 92615506

IUPAC1-[4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-[(4-methoxyphenyl)methyl-methylamino]ethanone
SMILESCOc1ccc(CN(C)CC(=O)N2CCC(c3ccc(-c4ccc(N)nc4)cn3)CC2)cc1
InChIInChI=1S/C26H31N5O2/c1-30(17-19-3-7-23(33-2)8-4-19)18-26(32)31-13-11-20(12-14-31)24-9-5-21(15-28-24)22-6-10-25(27)29-16-22/h3-10,15-16,20H,11-14,17-18H2,1-2H3,(H2,27,29)
InChIKeyCXIUGHAKMLKPSF-UHFFFAOYSA-N
MW445.57 g/mol
LogP3.57
Rot. Bonds7

About 1-[4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-[(4-methoxyphenyl)methyl-methylamino]ethanone

1-[4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-[(4-methoxyphenyl)methyl-methylamino]ethanone (PubChem CID 92615506) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is 1-[4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-[(4-methoxyphenyl)methyl-methylamino]ethanone.

Molecular Properties

Compound Name1-[4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-[(4-methoxyphenyl)methyl-methylamino]ethanone
PubChem CID92615506
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC Name1-[4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-[(4-methoxyphenyl)methyl-methylamino]ethanone
SMILESCOc1ccc(CN(C)CC(=O)N2CCC(c3ccc(-c4ccc(N)nc4)cn3)CC2)cc1
InChIInChI=1S/C26H31N5O2/c1-30(17-19-3-7-23(33-2)8-4-19)18-26(32)31-13-11-20(12-14-31)24-9-5-21(15-28-24)22-6-10-25(27)29-16-22/h3-10,15-16,20H,11-14,17-18H2,1-2H3,(H2,27,29)
InChIKeyCXIUGHAKMLKPSF-UHFFFAOYSA-N
XLogP3.57
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-[(4-methoxyphenyl)methyl-methylamino]ethanone with MolForge

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Related Compounds

1-[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]piperidine-4-carboxamide
CID 51171015
[4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone
CID 92615489
1-[2-[5-(2-fluorophenyl)-2-pyridinyl]morpholin-4-yl]-2-[(4-methoxyphenyl)methyl-methylamino]ethanone
CID 127250400
2-[(4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119929401
1-[4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone
CID 110263923
1-(2,6-dimethylmorpholin-4-yl)-2-[(4-methoxyphenyl)methyl-methylamino]ethanone
CID 86911554
4-[1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 135898022
1-[(3R)-3-[5-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95846969
3-(4-methoxyphenyl)-1-[3-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one
CID 110263839
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(4-methoxyphenyl)methyl-methylamino]ethanone
CID 8760904
[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-(4-methoxyphenyl)-2-pyridinyl]methanone
CID 139424753
1-[(2S)-2-[5-(6-amino-3-pyridinyl)-2-pyridinyl]pyrrolidin-1-yl]-2-(4-methoxyphenoxy)-2-methylpropan-1-one
CID 92615839

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-[(4-methoxyphenyl)methyl-methylamino]ethanone?
The IUPAC name of 1-[4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-[(4-methoxyphenyl)methyl-methylamino]ethanone (CID 92615506) is 1-[4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-[(4-methoxyphenyl)methyl-methylamino]ethanone.
What is the SMILES notation for 1-[4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-[(4-methoxyphenyl)methyl-methylamino]ethanone?
The canonical SMILES for 1-[4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-[(4-methoxyphenyl)methyl-methylamino]ethanone is COc1ccc(CN(C)CC(=O)N2CCC(c3ccc(-c4ccc(N)nc4)cn3)CC2)cc1.
What is the InChIKey of 1-[4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-[(4-methoxyphenyl)methyl-methylamino]ethanone?
The InChIKey is CXIUGHAKMLKPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2/c1-30(17-19-3-7-23(33-2)8-4-19)18-26(32)31-13-11-20(12-14-31)24-9-5-21(15-28-24)22-6-10-25(27)29-16-22/h3-10,15-16,20H,11-14,17-18H2,1-2H3,(H2,27,29).
What are the key properties of 1-[4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-[(4-methoxyphenyl)methyl-methylamino]ethanone?
1-[4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-[(4-methoxyphenyl)methyl-methylamino]ethanone has a molecular weight of 445.57 g/mol, XLogP of 3.57, 7 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-[(4-methoxyphenyl)methyl-methylamino]ethanone is sourced from PubChem (CID 92615506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).