[5-(cyclopropylmethoxy)-4-methoxy-2-pyridinyl]-[4-[4-methoxy-6-(methylamino)-3-pyridinyl]piperidin-1-yl]methanone

C23H30N4O4 — CID 176715559

IUPAC[5-(cyclopropylmethoxy)-4-methoxy-2-pyridinyl]-[4-[4-methoxy-6-(methylamino)-3-pyridinyl]piperidin-1-yl]methanone
SMILESCNc1cc(OC)c(C2CCN(C(=O)c3cc(OC)c(OCC4CC4)cn3)CC2)cn1
InChIInChI=1S/C23H30N4O4/c1-24-22-11-19(29-2)17(12-26-22)16-6-8-27(9-7-16)23(28)18-10-20(30-3)21(13-25-18)31-14-15-4-5-15/h10-13,15-16H,4-9,14H2,1-3H3,(H,24,26)
InChIKeyVZOGYCVWLZQZGH-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.34
Rot. Bonds8

About [5-(cyclopropylmethoxy)-4-methoxy-2-pyridinyl]-[4-[4-methoxy-6-(methylamino)-3-pyridinyl]piperidin-1-yl]methanone

[5-(cyclopropylmethoxy)-4-methoxy-2-pyridinyl]-[4-[4-methoxy-6-(methylamino)-3-pyridinyl]piperidin-1-yl]methanone (PubChem CID 176715559) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is [5-(cyclopropylmethoxy)-4-methoxy-2-pyridinyl]-[4-[4-methoxy-6-(methylamino)-3-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(cyclopropylmethoxy)-4-methoxy-2-pyridinyl]-[4-[4-methoxy-6-(methylamino)-3-pyridinyl]piperidin-1-yl]methanone
PubChem CID176715559
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC Name[5-(cyclopropylmethoxy)-4-methoxy-2-pyridinyl]-[4-[4-methoxy-6-(methylamino)-3-pyridinyl]piperidin-1-yl]methanone
SMILESCNc1cc(OC)c(C2CCN(C(=O)c3cc(OC)c(OCC4CC4)cn3)CC2)cn1
InChIInChI=1S/C23H30N4O4/c1-24-22-11-19(29-2)17(12-26-22)16-6-8-27(9-7-16)23(28)18-10-20(30-3)21(13-25-18)31-14-15-4-5-15/h10-13,15-16H,4-9,14H2,1-3H3,(H,24,26)
InChIKeyVZOGYCVWLZQZGH-UHFFFAOYSA-N
XLogP3.34
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-(cyclopropylmethoxy)-4-methoxy-2-pyridinyl]-[4-[4-methoxy-6-(methylamino)-3-pyridinyl]piperidin-1-yl]methanone?
The IUPAC name of [5-(cyclopropylmethoxy)-4-methoxy-2-pyridinyl]-[4-[4-methoxy-6-(methylamino)-3-pyridinyl]piperidin-1-yl]methanone (CID 176715559) is [5-(cyclopropylmethoxy)-4-methoxy-2-pyridinyl]-[4-[4-methoxy-6-(methylamino)-3-pyridinyl]piperidin-1-yl]methanone.
What is the SMILES notation for [5-(cyclopropylmethoxy)-4-methoxy-2-pyridinyl]-[4-[4-methoxy-6-(methylamino)-3-pyridinyl]piperidin-1-yl]methanone?
The canonical SMILES for [5-(cyclopropylmethoxy)-4-methoxy-2-pyridinyl]-[4-[4-methoxy-6-(methylamino)-3-pyridinyl]piperidin-1-yl]methanone is CNc1cc(OC)c(C2CCN(C(=O)c3cc(OC)c(OCC4CC4)cn3)CC2)cn1.
What is the InChIKey of [5-(cyclopropylmethoxy)-4-methoxy-2-pyridinyl]-[4-[4-methoxy-6-(methylamino)-3-pyridinyl]piperidin-1-yl]methanone?
The InChIKey is VZOGYCVWLZQZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-24-22-11-19(29-2)17(12-26-22)16-6-8-27(9-7-16)23(28)18-10-20(30-3)21(13-25-18)31-14-15-4-5-15/h10-13,15-16H,4-9,14H2,1-3H3,(H,24,26).
What are the key properties of [5-(cyclopropylmethoxy)-4-methoxy-2-pyridinyl]-[4-[4-methoxy-6-(methylamino)-3-pyridinyl]piperidin-1-yl]methanone?
[5-(cyclopropylmethoxy)-4-methoxy-2-pyridinyl]-[4-[4-methoxy-6-(methylamino)-3-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 426.52 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(cyclopropylmethoxy)-4-methoxy-2-pyridinyl]-[4-[4-methoxy-6-(methylamino)-3-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 176715559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).