N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-2-amine

C22H27N7O — CID 163272415

IUPACN-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-2-amine
SMILESCOc1nc2c(cc1Nc1ncc3ccnc(N4CCCCC4)c3n1)CN(C)CC2
InChIInChI=1S/C22H27N7O/c1-28-11-7-17-16(14-28)12-18(21(25-17)30-2)26-22-24-13-15-6-8-23-20(19(15)27-22)29-9-4-3-5-10-29/h6,8,12-13H,3-5,7,9-11,14H2,1-2H3,(H,24,26,27)
InChIKeyIJHDCYOMZAQFAK-UHFFFAOYSA-N
MW405.51 g/mol
LogP3.15
Rot. Bonds4

About N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-2-amine

N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-2-amine (PubChem CID 163272415) has the molecular formula C22H27N7O and a molecular weight of 405.51 g/mol. Its IUPAC name is N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-2-amine
PubChem CID163272415
Molecular FormulaC22H27N7O
Molecular Weight405.51 g/mol
Exact Mass405.23
IUPAC NameN-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-2-amine
SMILESCOc1nc2c(cc1Nc1ncc3ccnc(N4CCCCC4)c3n1)CN(C)CC2
InChIInChI=1S/C22H27N7O/c1-28-11-7-17-16(14-28)12-18(21(25-17)30-2)26-22-24-13-15-6-8-23-20(19(15)27-22)29-9-4-3-5-10-29/h6,8,12-13H,3-5,7,9-11,14H2,1-2H3,(H,24,26,27)
InChIKeyIJHDCYOMZAQFAK-UHFFFAOYSA-N
XLogP3.15
TPSA79.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-2-amine?
The IUPAC name of N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-2-amine (CID 163272415) is N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-2-amine?
The canonical SMILES for N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-2-amine is COc1nc2c(cc1Nc1ncc3ccnc(N4CCCCC4)c3n1)CN(C)CC2.
What is the InChIKey of N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-2-amine?
The InChIKey is IJHDCYOMZAQFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O/c1-28-11-7-17-16(14-28)12-18(21(25-17)30-2)26-22-24-13-15-6-8-23-20(19(15)27-22)29-9-4-3-5-10-29/h6,8,12-13H,3-5,7,9-11,14H2,1-2H3,(H,24,26,27).
What are the key properties of N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-2-amine?
N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 405.51 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 163272415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).