6-methoxy-1-methyl-7-[[[(2S,3S)-2-phenylpiperidin-3-yl]amino]methyl]-3,4-dihydro-1,8-naphthyridin-2-one

C22H28N4O2 — CID 21069330

IUPAC6-methoxy-1-methyl-7-[[[(2S,3S)-2-phenylpiperidin-3-yl]amino]methyl]-3,4-dihydro-1,8-naphthyridin-2-one
SMILESCOc1cc2c(nc1CN[C@H]1CCCN[C@H]1c1ccccc1)N(C)C(=O)CC2
InChIInChI=1S/C22H28N4O2/c1-26-20(27)11-10-16-13-19(28-2)18(25-22(16)26)14-24-17-9-6-12-23-21(17)15-7-4-3-5-8-15/h3-5,7-8,13,17,21,23-24H,6,9-12,14H2,1-2H3/t17-,21-/m0/s1
InChIKeyYPAMUYVJWMDJHF-UWJYYQICSA-N
MW380.49 g/mol
LogP2.58
Rot. Bonds5

About 6-methoxy-1-methyl-7-[[[(2S,3S)-2-phenylpiperidin-3-yl]amino]methyl]-3,4-dihydro-1,8-naphthyridin-2-one

6-methoxy-1-methyl-7-[[[(2S,3S)-2-phenylpiperidin-3-yl]amino]methyl]-3,4-dihydro-1,8-naphthyridin-2-one (PubChem CID 21069330) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 6-methoxy-1-methyl-7-[[[(2S,3S)-2-phenylpiperidin-3-yl]amino]methyl]-3,4-dihydro-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-methoxy-1-methyl-7-[[[(2S,3S)-2-phenylpiperidin-3-yl]amino]methyl]-3,4-dihydro-1,8-naphthyridin-2-one
PubChem CID21069330
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name6-methoxy-1-methyl-7-[[[(2S,3S)-2-phenylpiperidin-3-yl]amino]methyl]-3,4-dihydro-1,8-naphthyridin-2-one
SMILESCOc1cc2c(nc1CN[C@H]1CCCN[C@H]1c1ccccc1)N(C)C(=O)CC2
InChIInChI=1S/C22H28N4O2/c1-26-20(27)11-10-16-13-19(28-2)18(25-22(16)26)14-24-17-9-6-12-23-21(17)15-7-4-3-5-8-15/h3-5,7-8,13,17,21,23-24H,6,9-12,14H2,1-2H3/t17-,21-/m0/s1
InChIKeyYPAMUYVJWMDJHF-UWJYYQICSA-N
XLogP2.58
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-methyl-7-[[[(2S,3S)-2-phenylpiperidin-3-yl]amino]methyl]-3,4-dihydro-1,8-naphthyridin-2-one?
The IUPAC name of 6-methoxy-1-methyl-7-[[[(2S,3S)-2-phenylpiperidin-3-yl]amino]methyl]-3,4-dihydro-1,8-naphthyridin-2-one (CID 21069330) is 6-methoxy-1-methyl-7-[[[(2S,3S)-2-phenylpiperidin-3-yl]amino]methyl]-3,4-dihydro-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-methoxy-1-methyl-7-[[[(2S,3S)-2-phenylpiperidin-3-yl]amino]methyl]-3,4-dihydro-1,8-naphthyridin-2-one?
The canonical SMILES for 6-methoxy-1-methyl-7-[[[(2S,3S)-2-phenylpiperidin-3-yl]amino]methyl]-3,4-dihydro-1,8-naphthyridin-2-one is COc1cc2c(nc1CN[C@H]1CCCN[C@H]1c1ccccc1)N(C)C(=O)CC2.
What is the InChIKey of 6-methoxy-1-methyl-7-[[[(2S,3S)-2-phenylpiperidin-3-yl]amino]methyl]-3,4-dihydro-1,8-naphthyridin-2-one?
The InChIKey is YPAMUYVJWMDJHF-UWJYYQICSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-26-20(27)11-10-16-13-19(28-2)18(25-22(16)26)14-24-17-9-6-12-23-21(17)15-7-4-3-5-8-15/h3-5,7-8,13,17,21,23-24H,6,9-12,14H2,1-2H3/t17-,21-/m0/s1.
What are the key properties of 6-methoxy-1-methyl-7-[[[(2S,3S)-2-phenylpiperidin-3-yl]amino]methyl]-3,4-dihydro-1,8-naphthyridin-2-one?
6-methoxy-1-methyl-7-[[[(2S,3S)-2-phenylpiperidin-3-yl]amino]methyl]-3,4-dihydro-1,8-naphthyridin-2-one has a molecular weight of 380.49 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-methyl-7-[[[(2S,3S)-2-phenylpiperidin-3-yl]amino]methyl]-3,4-dihydro-1,8-naphthyridin-2-one is sourced from PubChem (CID 21069330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).