2-[4-[[(1S)-2-methoxy-1-(6-methoxy-3-pyridinyl)ethyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5-methylbenzonitrile

C24H26N6O2 — CID 25062942

IUPAC2-[4-[[(1S)-2-methoxy-1-(6-methoxy-3-pyridinyl)ethyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5-methylbenzonitrile
SMILESCOC[C@@H](Nc1ncnc2c1CN(c1ccc(C)cc1C#N)CC2)c1ccc(OC)nc1
InChIInChI=1S/C24H26N6O2/c1-16-4-6-22(18(10-16)11-25)30-9-8-20-19(13-30)24(28-15-27-20)29-21(14-31-2)17-5-7-23(32-3)26-12-17/h4-7,10,12,15,21H,8-9,13-14H2,1-3H3,(H,27,28,29)/t21-/m1/s1
InChIKeyOHKYSCNGLWLOFA-OAQYLSRUSA-N
MW430.51 g/mol
LogP3.42
Rot. Bonds7

About 2-[4-[[(1S)-2-methoxy-1-(6-methoxy-3-pyridinyl)ethyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5-methylbenzonitrile

2-[4-[[(1S)-2-methoxy-1-(6-methoxy-3-pyridinyl)ethyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5-methylbenzonitrile (PubChem CID 25062942) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 2-[4-[[(1S)-2-methoxy-1-(6-methoxy-3-pyridinyl)ethyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5-methylbenzonitrile.

Molecular Properties

Compound Name2-[4-[[(1S)-2-methoxy-1-(6-methoxy-3-pyridinyl)ethyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5-methylbenzonitrile
PubChem CID25062942
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name2-[4-[[(1S)-2-methoxy-1-(6-methoxy-3-pyridinyl)ethyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5-methylbenzonitrile
SMILESCOC[C@@H](Nc1ncnc2c1CN(c1ccc(C)cc1C#N)CC2)c1ccc(OC)nc1
InChIInChI=1S/C24H26N6O2/c1-16-4-6-22(18(10-16)11-25)30-9-8-20-19(13-30)24(28-15-27-20)29-21(14-31-2)17-5-7-23(32-3)26-12-17/h4-7,10,12,15,21H,8-9,13-14H2,1-3H3,(H,27,28,29)/t21-/m1/s1
InChIKeyOHKYSCNGLWLOFA-OAQYLSRUSA-N
XLogP3.42
TPSA96.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[4-[[(1S)-2-methoxy-1-(6-methoxy-3-pyridinyl)ethyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5-methylbenzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(1S)-2-methoxy-1-(6-methoxy-3-pyridinyl)ethyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5-methylbenzonitrile?
The IUPAC name of 2-[4-[[(1S)-2-methoxy-1-(6-methoxy-3-pyridinyl)ethyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5-methylbenzonitrile (CID 25062942) is 2-[4-[[(1S)-2-methoxy-1-(6-methoxy-3-pyridinyl)ethyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5-methylbenzonitrile.
What is the SMILES notation for 2-[4-[[(1S)-2-methoxy-1-(6-methoxy-3-pyridinyl)ethyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5-methylbenzonitrile?
The canonical SMILES for 2-[4-[[(1S)-2-methoxy-1-(6-methoxy-3-pyridinyl)ethyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5-methylbenzonitrile is COC[C@@H](Nc1ncnc2c1CN(c1ccc(C)cc1C#N)CC2)c1ccc(OC)nc1.
What is the InChIKey of 2-[4-[[(1S)-2-methoxy-1-(6-methoxy-3-pyridinyl)ethyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5-methylbenzonitrile?
The InChIKey is OHKYSCNGLWLOFA-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-16-4-6-22(18(10-16)11-25)30-9-8-20-19(13-30)24(28-15-27-20)29-21(14-31-2)17-5-7-23(32-3)26-12-17/h4-7,10,12,15,21H,8-9,13-14H2,1-3H3,(H,27,28,29)/t21-/m1/s1.
What are the key properties of 2-[4-[[(1S)-2-methoxy-1-(6-methoxy-3-pyridinyl)ethyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5-methylbenzonitrile?
2-[4-[[(1S)-2-methoxy-1-(6-methoxy-3-pyridinyl)ethyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5-methylbenzonitrile has a molecular weight of 430.51 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(1S)-2-methoxy-1-(6-methoxy-3-pyridinyl)ethyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5-methylbenzonitrile is sourced from PubChem (CID 25062942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).