N-(2-aminoethyl)-7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide

C19H24N6O3 — CID 155019441

IUPACN-(2-aminoethyl)-7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide
SMILESCOC1(C)CCN(c2c(C#N)c(=O)[nH]c3ccc(C(=O)NCCN)nc23)CC1
InChIInChI=1S/C19H24N6O3/c1-19(28-2)5-9-25(10-6-19)16-12(11-21)17(26)24-13-3-4-14(23-15(13)16)18(27)22-8-7-20/h3-4H,5-10,20H2,1-2H3,(H,22,27)(H,24,26)
InChIKeyDAVPXOVVQBVWMR-UHFFFAOYSA-N
MW384.44 g/mol
LogP0.49
Rot. Bonds5

About N-(2-aminoethyl)-7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide

N-(2-aminoethyl)-7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide (PubChem CID 155019441) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-(2-aminoethyl)-7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide
PubChem CID155019441
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC NameN-(2-aminoethyl)-7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide
SMILESCOC1(C)CCN(c2c(C#N)c(=O)[nH]c3ccc(C(=O)NCCN)nc23)CC1
InChIInChI=1S/C19H24N6O3/c1-19(28-2)5-9-25(10-6-19)16-12(11-21)17(26)24-13-3-4-14(23-15(13)16)18(27)22-8-7-20/h3-4H,5-10,20H2,1-2H3,(H,22,27)(H,24,26)
InChIKeyDAVPXOVVQBVWMR-UHFFFAOYSA-N
XLogP0.49
TPSA137.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide (CID 155019441) is N-(2-aminoethyl)-7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide is COC1(C)CCN(c2c(C#N)c(=O)[nH]c3ccc(C(=O)NCCN)nc23)CC1.
What is the InChIKey of N-(2-aminoethyl)-7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide?
The InChIKey is DAVPXOVVQBVWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3/c1-19(28-2)5-9-25(10-6-19)16-12(11-21)17(26)24-13-3-4-14(23-15(13)16)18(27)22-8-7-20/h3-4H,5-10,20H2,1-2H3,(H,22,27)(H,24,26).
What are the key properties of N-(2-aminoethyl)-7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide?
N-(2-aminoethyl)-7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide is sourced from PubChem (CID 155019441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).