N-[6-(4-methoxypiperidin-1-yl)-3-pyridinyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine

C18H24N6O — CID 170324420

IUPACN-[6-(4-methoxypiperidin-1-yl)-3-pyridinyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
SMILESCOC1CCN(c2ccc(Nc3ncc4c(n3)CNCC4)cn2)CC1
InChIInChI=1S/C18H24N6O/c1-25-15-5-8-24(9-6-15)17-3-2-14(11-20-17)22-18-21-10-13-4-7-19-12-16(13)23-18/h2-3,10-11,15,19H,4-9,12H2,1H3,(H,21,22,23)
InChIKeyUGDBWBNWSLPFMS-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.88
Rot. Bonds4

About N-[6-(4-methoxypiperidin-1-yl)-3-pyridinyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine

N-[6-(4-methoxypiperidin-1-yl)-3-pyridinyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine (PubChem CID 170324420) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[6-(4-methoxypiperidin-1-yl)-3-pyridinyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[6-(4-methoxypiperidin-1-yl)-3-pyridinyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
PubChem CID170324420
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC NameN-[6-(4-methoxypiperidin-1-yl)-3-pyridinyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
SMILESCOC1CCN(c2ccc(Nc3ncc4c(n3)CNCC4)cn2)CC1
InChIInChI=1S/C18H24N6O/c1-25-15-5-8-24(9-6-15)17-3-2-14(11-20-17)22-18-21-10-13-4-7-19-12-16(13)23-18/h2-3,10-11,15,19H,4-9,12H2,1H3,(H,21,22,23)
InChIKeyUGDBWBNWSLPFMS-UHFFFAOYSA-N
XLogP1.88
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methoxypiperidin-1-yl)-3-pyridinyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The IUPAC name of N-[6-(4-methoxypiperidin-1-yl)-3-pyridinyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine (CID 170324420) is N-[6-(4-methoxypiperidin-1-yl)-3-pyridinyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for N-[6-(4-methoxypiperidin-1-yl)-3-pyridinyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The canonical SMILES for N-[6-(4-methoxypiperidin-1-yl)-3-pyridinyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine is COC1CCN(c2ccc(Nc3ncc4c(n3)CNCC4)cn2)CC1.
What is the InChIKey of N-[6-(4-methoxypiperidin-1-yl)-3-pyridinyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The InChIKey is UGDBWBNWSLPFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-25-15-5-8-24(9-6-15)17-3-2-14(11-20-17)22-18-21-10-13-4-7-19-12-16(13)23-18/h2-3,10-11,15,19H,4-9,12H2,1H3,(H,21,22,23).
What are the key properties of N-[6-(4-methoxypiperidin-1-yl)-3-pyridinyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
N-[6-(4-methoxypiperidin-1-yl)-3-pyridinyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 340.43 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methoxypiperidin-1-yl)-3-pyridinyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 170324420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).