3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid;6-formyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile

C34H36N8O7 — CID 165003728

IUPAC3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid;6-formyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
SMILESCOC1(C)CCN(c2c(C#N)c(=O)[nH]c3cnc(C(=O)O)cc23)CC1.COC1(C)CCN(c2c(C#N)c(=O)[nH]c3cnc(C=O)cc23)CC1
InChIInChI=1S/C17H18N4O4.C17H18N4O3/c1-17(25-2)3-5-21(6-4-17)14-10-7-12(16(23)24)19-9-13(10)20-15(22)11(14)8-18;1-17(24-2)3-5-21(6-4-17)15-12-7-11(10-22)19-9-14(12)20-16(23)13(15)8-18/h7,9H,3-6H2,1-2H3,(H,20,22)(H,23,24);7,9-10H,3-6H2,1-2H3,(H,20,23)
InChIKeyIQKNNMFEJIWWMC-UHFFFAOYSA-N
MW668.71 g/mol
LogP3.11
Rot. Bonds6

About 3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid;6-formyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile

3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid;6-formyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile (PubChem CID 165003728) has the molecular formula C34H36N8O7 and a molecular weight of 668.71 g/mol. Its IUPAC name is 3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid;6-formyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid;6-formyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
PubChem CID165003728
Molecular FormulaC34H36N8O7
Molecular Weight668.71 g/mol
Exact Mass668.27
IUPAC Name3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid;6-formyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
SMILESCOC1(C)CCN(c2c(C#N)c(=O)[nH]c3cnc(C(=O)O)cc23)CC1.COC1(C)CCN(c2c(C#N)c(=O)[nH]c3cnc(C=O)cc23)CC1
InChIInChI=1S/C17H18N4O4.C17H18N4O3/c1-17(25-2)3-5-21(6-4-17)14-10-7-12(16(23)24)19-9-13(10)20-15(22)11(14)8-18;1-17(24-2)3-5-21(6-4-17)15-12-7-11(10-22)19-9-14(12)20-16(23)13(15)8-18/h7,9H,3-6H2,1-2H3,(H,20,22)(H,23,24);7,9-10H,3-6H2,1-2H3,(H,20,23)
InChIKeyIQKNNMFEJIWWMC-UHFFFAOYSA-N
XLogP3.11
TPSA218.39 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.71
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid;6-formyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile with MolForge

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Related Compounds

3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-N-(1-methylazetidin-3-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxamide;3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid;1-methylazetidin-3-amine;2,2,2-trifluoroacetic acid
CID 164993416
3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-2-oxo-1H-1,7-naphthyridine-6-carboxamide;3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid;(1-methylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid
CID 165014595
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-6-fluoropyridine-2-carboxylic acid
CID 178132043
N-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]-6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)pyridine-3-carboxamide
CID 118889548
4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid
CID 138518072
3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid
CID 138518214
4-(4-methoxy-4-methylpiperidin-1-yl)-3-methyl-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid
CID 148913523
1-[1-[3-cyano-6-[(1R)-1-hydroxyethyl]-2-oxo-1H-1,7-naphthyridin-4-yl]-4-methylpiperidin-4-yl]oxy-6-[(1S)-1-hydroxyethyl]-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1,7-naphthyridine-3-carbonitrile
CID 155019518
Methyl 5-[4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]picolinate
CID 155586998
3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid;4-(4-methoxy-4-methylpiperidin-1-yl)-6-[2-(1-methylpiperidin-4-yl)acetyl]-2-oxo-1H-1,7-naphthyridine-3-carbonitrile;1-methylpiperidin-4-amine
CID 157513409
N-(2-aminoethyl)-4-methylpyridine-2-carboxamide;N-(6-aminohexyl)-4-methylpyridine-2-carboxamide;N-[2-(dimethylamino)ethyl]-4-methylpyridine-2-carboxamide;N,4-dimethylpyridine-2-carboxamide;N-(2-methoxyethyl)-4-methylpyridine-2-carboxamide;4-methyl-N-[2-(methylamino)ethyl]pyridine-2-carboxamide;2-[(4-methylpyridine-2-carbonyl)amino]acetic acid;4-methylpyridine-2-carboxamide;4-methylpyridine-2-carboxylic acid
CID 157625500
3-Aminopyridine-2-carboxylic acid;tert-butyl 2-(aminomethyl)piperidine-1-carboxylate;tert-butyl 2-[[(3-aminopyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 158073764

Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid;6-formyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The IUPAC name of 3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid;6-formyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile (CID 165003728) is 3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid;6-formyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile.
What is the SMILES notation for 3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid;6-formyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The canonical SMILES for 3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid;6-formyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile is COC1(C)CCN(c2c(C#N)c(=O)[nH]c3cnc(C(=O)O)cc23)CC1.COC1(C)CCN(c2c(C#N)c(=O)[nH]c3cnc(C=O)cc23)CC1.
What is the InChIKey of 3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid;6-formyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The InChIKey is IQKNNMFEJIWWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4.C17H18N4O3/c1-17(25-2)3-5-21(6-4-17)14-10-7-12(16(23)24)19-9-13(10)20-15(22)11(14)8-18;1-17(24-2)3-5-21(6-4-17)15-12-7-11(10-22)19-9-14(12)20-16(23)13(15)8-18/h7,9H,3-6H2,1-2H3,(H,20,22)(H,23,24);7,9-10H,3-6H2,1-2H3,(H,20,23).
What are the key properties of 3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid;6-formyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid;6-formyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile has a molecular weight of 668.71 g/mol, XLogP of 3.11, 6 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid;6-formyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile is sourced from PubChem (CID 165003728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).