methyl N-[1-[2-[3-(2-methoxy-3-pyridinyl)phenyl]pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]carbamate

C26H26N6O3 — CID 70643905

IUPACmethyl N-[1-[2-[3-(2-methoxy-3-pyridinyl)phenyl]pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]carbamate
SMILESCOC(=O)NC1CCCN(c2nc(-c3cccc(-c4cccnc4OC)c3)nc3cnccc23)C1
InChIInChI=1S/C26H26N6O3/c1-34-25-20(9-4-11-28-25)17-6-3-7-18(14-17)23-30-22-15-27-12-10-21(22)24(31-23)32-13-5-8-19(16-32)29-26(33)35-2/h3-4,6-7,9-12,14-15,19H,5,8,13,16H2,1-2H3,(H,29,33)
InChIKeyFIUXMMVULQJWEZ-UHFFFAOYSA-N
MW470.53 g/mol
LogP4.09
Rot. Bonds5

About methyl N-[1-[2-[3-(2-methoxy-3-pyridinyl)phenyl]pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]carbamate

methyl N-[1-[2-[3-(2-methoxy-3-pyridinyl)phenyl]pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]carbamate (PubChem CID 70643905) has the molecular formula C26H26N6O3 and a molecular weight of 470.53 g/mol. Its IUPAC name is methyl N-[1-[2-[3-(2-methoxy-3-pyridinyl)phenyl]pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-[2-[3-(2-methoxy-3-pyridinyl)phenyl]pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]carbamate
PubChem CID70643905
Molecular FormulaC26H26N6O3
Molecular Weight470.53 g/mol
Exact Mass470.21
IUPAC Namemethyl N-[1-[2-[3-(2-methoxy-3-pyridinyl)phenyl]pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]carbamate
SMILESCOC(=O)NC1CCCN(c2nc(-c3cccc(-c4cccnc4OC)c3)nc3cnccc23)C1
InChIInChI=1S/C26H26N6O3/c1-34-25-20(9-4-11-28-25)17-6-3-7-18(14-17)23-30-22-15-27-12-10-21(22)24(31-23)32-13-5-8-19(16-32)29-26(33)35-2/h3-4,6-7,9-12,14-15,19H,5,8,13,16H2,1-2H3,(H,29,33)
InChIKeyFIUXMMVULQJWEZ-UHFFFAOYSA-N
XLogP4.09
TPSA102.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[2-[3-(2-methoxy-3-pyridinyl)phenyl]pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]carbamate?
The IUPAC name of methyl N-[1-[2-[3-(2-methoxy-3-pyridinyl)phenyl]pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]carbamate (CID 70643905) is methyl N-[1-[2-[3-(2-methoxy-3-pyridinyl)phenyl]pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]carbamate.
What is the SMILES notation for methyl N-[1-[2-[3-(2-methoxy-3-pyridinyl)phenyl]pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]carbamate?
The canonical SMILES for methyl N-[1-[2-[3-(2-methoxy-3-pyridinyl)phenyl]pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]carbamate is COC(=O)NC1CCCN(c2nc(-c3cccc(-c4cccnc4OC)c3)nc3cnccc23)C1.
What is the InChIKey of methyl N-[1-[2-[3-(2-methoxy-3-pyridinyl)phenyl]pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]carbamate?
The InChIKey is FIUXMMVULQJWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O3/c1-34-25-20(9-4-11-28-25)17-6-3-7-18(14-17)23-30-22-15-27-12-10-21(22)24(31-23)32-13-5-8-19(16-32)29-26(33)35-2/h3-4,6-7,9-12,14-15,19H,5,8,13,16H2,1-2H3,(H,29,33).
What are the key properties of methyl N-[1-[2-[3-(2-methoxy-3-pyridinyl)phenyl]pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]carbamate?
methyl N-[1-[2-[3-(2-methoxy-3-pyridinyl)phenyl]pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]carbamate has a molecular weight of 470.53 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[2-[3-(2-methoxy-3-pyridinyl)phenyl]pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-yl]carbamate is sourced from PubChem (CID 70643905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).