6-[[[1-[2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one

C25H30N6O3 — CID 18454470

IUPAC6-[[[1-[2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCOc1ccc2nccc(C(O)CN3CCC(NCc4cnc5c(c4)CCC(=O)N5)CC3)c2n1
InChIInChI=1S/C25H30N6O3/c1-34-23-5-3-20-24(30-23)19(6-9-26-20)21(32)15-31-10-7-18(8-11-31)27-13-16-12-17-2-4-22(33)29-25(17)28-14-16/h3,5-6,9,12,14,18,21,27,32H,2,4,7-8,10-11,13,15H2,1H3,(H,28,29,33)
InChIKeyCXZFTPXYXXIAKC-UHFFFAOYSA-N
MW462.55 g/mol
LogP2.21
Rot. Bonds7

About 6-[[[1-[2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one

6-[[[1-[2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 18454470) has the molecular formula C25H30N6O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is 6-[[[1-[2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-[[[1-[2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID18454470
Molecular FormulaC25H30N6O3
Molecular Weight462.55 g/mol
Exact Mass462.24
IUPAC Name6-[[[1-[2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCOc1ccc2nccc(C(O)CN3CCC(NCc4cnc5c(c4)CCC(=O)N5)CC3)c2n1
InChIInChI=1S/C25H30N6O3/c1-34-23-5-3-20-24(30-23)19(6-9-26-20)21(32)15-31-10-7-18(8-11-31)27-13-16-12-17-2-4-22(33)29-25(17)28-14-16/h3,5-6,9,12,14,18,21,27,32H,2,4,7-8,10-11,13,15H2,1H3,(H,28,29,33)
InChIKeyCXZFTPXYXXIAKC-UHFFFAOYSA-N
XLogP2.21
TPSA112.50 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-[[[1-[2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[[1-[2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 6-[[[1-[2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 18454470) is 6-[[[1-[2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-[[[1-[2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 6-[[[1-[2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one is COc1ccc2nccc(C(O)CN3CCC(NCc4cnc5c(c4)CCC(=O)N5)CC3)c2n1.
What is the InChIKey of 6-[[[1-[2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is CXZFTPXYXXIAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O3/c1-34-23-5-3-20-24(30-23)19(6-9-26-20)21(32)15-31-10-7-18(8-11-31)27-13-16-12-17-2-4-22(33)29-25(17)28-14-16/h3,5-6,9,12,14,18,21,27,32H,2,4,7-8,10-11,13,15H2,1H3,(H,28,29,33).
What are the key properties of 6-[[[1-[2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
6-[[[1-[2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 462.55 g/mol, XLogP of 2.21, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[1-[2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 18454470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).