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)-2-oxo-6-(4-pyrrolidin-1-ylbutanoyl)-1H-1,7-naphthyridine-3-carbonitrile;2-pyrrolidin-1-ylethanamine

C47H63N11O7 — CID 164950710

About 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)-2-oxo-6-(4-pyrrolidin-1-ylbutanoyl)-1H-1,7-naphthyridine-3-carbonitrile;2-pyrrolidin-1-ylethanamine

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)-2-oxo-6-(4-pyrrolidin-1-ylbutanoyl)-1H-1,7-naphthyridine-3-carbonitrile;2-pyrrolidin-1-ylethanamine (PubChem CID 164950710) has the molecular formula C47H63N11O7 and a molecular weight of 894.09 g/mol. Its IUPAC name is 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)-2-oxo-6-(4-pyrrolidin-1-ylbutanoyl)-1H-1,7-naphthyridine-3-carbonitrile;2-pyrrolidin-1-ylethanamine.

Molecular Properties

• Compound Name: 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)-2-oxo-6-(4-pyrrolidin-1-ylbutanoyl)-1H-1,7-naphthyridine-3-carbonitrile;2-pyrrolidin-1-ylethanamine
• PubChem CID: 164950710
• Molecular Formula: C47H63N11O7
• Molecular Weight: 894.09 g/mol
• Exact Mass: 893.49
• IUPAC Name: 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)-2-oxo-6-(4-pyrrolidin-1-ylbutanoyl)-1H-1,7-naphthyridine-3-carbonitrile;2-pyrrolidin-1-ylethanamine
• SMILES: COC1(C)CCN(c2c(C#N)c(=O)[nH]c3cnc(C(=O)CCCN4CCCC4)cc23)CC1.COC1(C)CCN(c2c(C#N)c(=O)[nH]c3cnc(C(=O)O)cc23)CC1.NCCN1CCCC1
• InChI: InChI=1S/C24H31N5O3.C17H18N4O4.C6H14N2/c1-24(32-2)7-12-29(13-8-24)22-17-14-19(21(30)6-5-11-28-9-3-4-10-28)26-16-20(17)27-23(31)18(22)15-25;1-17(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;7-3-6-8-4-1-2-5-8/h14,16H,3-13H2,1-2H3,(H,27,31);7,9H,3-6H2,1-2H3,(H,20,22)(H,23,24);1-7H2
• InChIKey: AMJRXPNCCFHHSL-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 250.89 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	894.09
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

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;4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-6-(4-pyrrolidin-1-ylbutanoyl)-1H-1,7-naphthyridine-3-carbonitrile;2-pyrrolidin-1-ylethanamine?

The IUPAC name of 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)-2-oxo-6-(4-pyrrolidin-1-ylbutanoyl)-1H-1,7-naphthyridine-3-carbonitrile;2-pyrrolidin-1-ylethanamine (CID 164950710) is 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)-2-oxo-6-(4-pyrrolidin-1-ylbutanoyl)-1H-1,7-naphthyridine-3-carbonitrile;2-pyrrolidin-1-ylethanamine.

What is the SMILES notation for 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)-2-oxo-6-(4-pyrrolidin-1-ylbutanoyl)-1H-1,7-naphthyridine-3-carbonitrile;2-pyrrolidin-1-ylethanamine?

The canonical SMILES for 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)-2-oxo-6-(4-pyrrolidin-1-ylbutanoyl)-1H-1,7-naphthyridine-3-carbonitrile;2-pyrrolidin-1-ylethanamine is COC1(C)CCN(c2c(C#N)c(=O)[nH]c3cnc(C(=O)CCCN4CCCC4)cc23)CC1.COC1(C)CCN(c2c(C#N)c(=O)[nH]c3cnc(C(=O)O)cc23)CC1.NCCN1CCCC1.

What is the InChIKey of 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)-2-oxo-6-(4-pyrrolidin-1-ylbutanoyl)-1H-1,7-naphthyridine-3-carbonitrile;2-pyrrolidin-1-ylethanamine?

The InChIKey is AMJRXPNCCFHHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3.C17H18N4O4.C6H14N2/c1-24(32-2)7-12-29(13-8-24)22-17-14-19(21(30)6-5-11-28-9-3-4-10-28)26-16-20(17)27-23(31)18(22)15-25;1-17(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;7-3-6-8-4-1-2-5-8/h14,16H,3-13H2,1-2H3,(H,27,31);7,9H,3-6H2,1-2H3,(H,20,22)(H,23,24);1-7H2.

What are the key properties of 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)-2-oxo-6-(4-pyrrolidin-1-ylbutanoyl)-1H-1,7-naphthyridine-3-carbonitrile;2-pyrrolidin-1-ylethanamine?

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)-2-oxo-6-(4-pyrrolidin-1-ylbutanoyl)-1H-1,7-naphthyridine-3-carbonitrile;2-pyrrolidin-1-ylethanamine has a molecular weight of 894.09 g/mol, XLogP of 4.40, 12 rotatable bonds, 4 hydrogen bond donors, and 15 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;4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-6-(4-pyrrolidin-1-ylbutanoyl)-1H-1,7-naphthyridine-3-carbonitrile;2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 164950710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).