6-[cyclopropyl(hydroxy)methyl]-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile

C20H24N4O3 — CID 164708397

IUPAC6-[cyclopropyl(hydroxy)methyl]-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
SMILESCOC1(C)CCN(c2c(C#N)c(=O)[nH]c3ccc(C(O)C4CC4)nc23)CC1
InChIInChI=1S/C20H24N4O3/c1-20(27-2)7-9-24(10-8-20)17-13(11-21)19(26)23-14-5-6-15(22-16(14)17)18(25)12-3-4-12/h5-6,12,18,25H,3-4,7-10H2,1-2H3,(H,23,26)
InChIKeyOYVJIVLZFFEGMV-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.24
Rot. Bonds4

About 6-[cyclopropyl(hydroxy)methyl]-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile

6-[cyclopropyl(hydroxy)methyl]-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile (PubChem CID 164708397) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 6-[cyclopropyl(hydroxy)methyl]-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[cyclopropyl(hydroxy)methyl]-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
PubChem CID164708397
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name6-[cyclopropyl(hydroxy)methyl]-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
SMILESCOC1(C)CCN(c2c(C#N)c(=O)[nH]c3ccc(C(O)C4CC4)nc23)CC1
InChIInChI=1S/C20H24N4O3/c1-20(27-2)7-9-24(10-8-20)17-13(11-21)19(26)23-14-5-6-15(22-16(14)17)18(25)12-3-4-12/h5-6,12,18,25H,3-4,7-10H2,1-2H3,(H,23,26)
InChIKeyOYVJIVLZFFEGMV-UHFFFAOYSA-N
XLogP2.24
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[cyclopropyl(hydroxy)methyl]-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile with MolForge

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Related Compounds

6-acetyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
CID 155119085
6-(2-methoxyethoxy)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
CID 164708367
6-cyclopropyl-3-ethynyl-4-(4-methoxy-4-methylpiperidin-1-yl)-1H-1,5-naphthyridin-2-one
CID 164959338
7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-(1-methylazetidin-3-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide
CID 164708389
7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-6-oxo-5H-1,5-naphthyridine-2-carboxamide
CID 155019269
5-fluoro-4-(4-methoxy-4-methylpiperidin-1-yl)-6-methyl-2-oxo-1H-quinoline-3-carbonitrile
CID 165071805
7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)-5H-1,5-naphthyridine-2-carboxamide
CID 164708366
4-(6-azaspiro[2.5]octan-6-yl)-6-methyl-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
CID 155019490
3-ethynyl-4-(4-methoxy-4-methylpiperidin-1-yl)-1H-1,5-naphthyridin-2-one
CID 164998222
6-(1-hydroxycyclobutyl)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile
CID 166985710
4-(6-azaspiro[2.5]octan-6-yl)-6-(hydroxymethyl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
CID 155019535
4-(4-methoxy-4-methylpiperidin-1-yl)-6-methyl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
CID 138518550

Frequently Asked Questions

What is the IUPAC name of 6-[cyclopropyl(hydroxy)methyl]-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile?
The IUPAC name of 6-[cyclopropyl(hydroxy)methyl]-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile (CID 164708397) is 6-[cyclopropyl(hydroxy)methyl]-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile.
What is the SMILES notation for 6-[cyclopropyl(hydroxy)methyl]-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile?
The canonical SMILES for 6-[cyclopropyl(hydroxy)methyl]-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile is COC1(C)CCN(c2c(C#N)c(=O)[nH]c3ccc(C(O)C4CC4)nc23)CC1.
What is the InChIKey of 6-[cyclopropyl(hydroxy)methyl]-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile?
The InChIKey is OYVJIVLZFFEGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-20(27-2)7-9-24(10-8-20)17-13(11-21)19(26)23-14-5-6-15(22-16(14)17)18(25)12-3-4-12/h5-6,12,18,25H,3-4,7-10H2,1-2H3,(H,23,26).
What are the key properties of 6-[cyclopropyl(hydroxy)methyl]-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile?
6-[cyclopropyl(hydroxy)methyl]-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile has a molecular weight of 368.44 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropyl(hydroxy)methyl]-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile is sourced from PubChem (CID 164708397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).