1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-[6-(dimethylamino)-3-pyridinyl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one

C26H32N8O2 — CID 58379577

IUPAC1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-[6-(dimethylamino)-3-pyridinyl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCN(C)CC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccc(N(C)C)nc5)nc4c32)CC1
InChIInChI=1S/C26H32N8O2/c1-30(2)16-23(35)33-12-10-18(11-13-33)34-25-21(32(5)26(34)36)15-27-20-8-7-19(29-24(20)25)17-6-9-22(28-14-17)31(3)4/h6-9,14-15,18H,10-13,16H2,1-5H3
InChIKeyNLOCQUUJIBXXNB-UHFFFAOYSA-N
MW488.60 g/mol
LogP2.14
Rot. Bonds5

About 1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-[6-(dimethylamino)-3-pyridinyl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one

1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-[6-(dimethylamino)-3-pyridinyl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 58379577) has the molecular formula C26H32N8O2 and a molecular weight of 488.60 g/mol. Its IUPAC name is 1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-[6-(dimethylamino)-3-pyridinyl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-[6-(dimethylamino)-3-pyridinyl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID58379577
Molecular FormulaC26H32N8O2
Molecular Weight488.60 g/mol
Exact Mass488.26
IUPAC Name1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-[6-(dimethylamino)-3-pyridinyl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCN(C)CC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccc(N(C)C)nc5)nc4c32)CC1
InChIInChI=1S/C26H32N8O2/c1-30(2)16-23(35)33-12-10-18(11-13-33)34-25-21(32(5)26(34)36)15-27-20-8-7-19(29-24(20)25)17-6-9-22(28-14-17)31(3)4/h6-9,14-15,18H,10-13,16H2,1-5H3
InChIKeyNLOCQUUJIBXXNB-UHFFFAOYSA-N
XLogP2.14
TPSA92.39 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.60
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-[6-(dimethylamino)-3-pyridinyl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-[6-(dimethylamino)-3-pyridinyl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one (CID 58379577) is 1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-[6-(dimethylamino)-3-pyridinyl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-[6-(dimethylamino)-3-pyridinyl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-[6-(dimethylamino)-3-pyridinyl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one is CN(C)CC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccc(N(C)C)nc5)nc4c32)CC1.
What is the InChIKey of 1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-[6-(dimethylamino)-3-pyridinyl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is NLOCQUUJIBXXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O2/c1-30(2)16-23(35)33-12-10-18(11-13-33)34-25-21(32(5)26(34)36)15-27-20-8-7-19(29-24(20)25)17-6-9-22(28-14-17)31(3)4/h6-9,14-15,18H,10-13,16H2,1-5H3.
What are the key properties of 1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-[6-(dimethylamino)-3-pyridinyl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-[6-(dimethylamino)-3-pyridinyl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 488.60 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-[6-(dimethylamino)-3-pyridinyl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 58379577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).