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

C21H28N6O3 — CID 164708405

IUPAC7-cyano-N-[2-(dimethylamino)ethyl]-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(C)C)nc23)CC1
InChIInChI=1S/C21H28N6O3/c1-21(30-4)7-10-27(11-8-21)18-14(13-22)19(28)25-15-5-6-16(24-17(15)18)20(29)23-9-12-26(2)3/h5-6H,7-12H2,1-4H3,(H,23,29)(H,25,28)
InChIKeyGCDYTQRRHKLLDV-UHFFFAOYSA-N
MW412.49 g/mol
LogP1.09
Rot. Bonds6

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

7-cyano-N-[2-(dimethylamino)ethyl]-8-(4-methoxy-4-methylpiperidin-1-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide (PubChem CID 164708405) has the molecular formula C21H28N6O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 7-cyano-N-[2-(dimethylamino)ethyl]-8-(4-methoxy-4-methylpiperidin-1-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name7-cyano-N-[2-(dimethylamino)ethyl]-8-(4-methoxy-4-methylpiperidin-1-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide
PubChem CID164708405
Molecular FormulaC21H28N6O3
Molecular Weight412.49 g/mol
Exact Mass412.22
IUPAC Name7-cyano-N-[2-(dimethylamino)ethyl]-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(C)C)nc23)CC1
InChIInChI=1S/C21H28N6O3/c1-21(30-4)7-10-27(11-8-21)18-14(13-22)19(28)25-15-5-6-16(24-17(15)18)20(29)23-9-12-26(2)3/h5-6H,7-12H2,1-4H3,(H,23,29)(H,25,28)
InChIKeyGCDYTQRRHKLLDV-UHFFFAOYSA-N
XLogP1.09
TPSA114.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-cyano-N-[2-(dimethylamino)ethyl]-8-(4-methoxy-4-methylpiperidin-1-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide?
The IUPAC name of 7-cyano-N-[2-(dimethylamino)ethyl]-8-(4-methoxy-4-methylpiperidin-1-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide (CID 164708405) is 7-cyano-N-[2-(dimethylamino)ethyl]-8-(4-methoxy-4-methylpiperidin-1-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide.
What is the SMILES notation for 7-cyano-N-[2-(dimethylamino)ethyl]-8-(4-methoxy-4-methylpiperidin-1-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide?
The canonical SMILES for 7-cyano-N-[2-(dimethylamino)ethyl]-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(C)C)nc23)CC1.
What is the InChIKey of 7-cyano-N-[2-(dimethylamino)ethyl]-8-(4-methoxy-4-methylpiperidin-1-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide?
The InChIKey is GCDYTQRRHKLLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O3/c1-21(30-4)7-10-27(11-8-21)18-14(13-22)19(28)25-15-5-6-16(24-17(15)18)20(29)23-9-12-26(2)3/h5-6H,7-12H2,1-4H3,(H,23,29)(H,25,28).
What are the key properties of 7-cyano-N-[2-(dimethylamino)ethyl]-8-(4-methoxy-4-methylpiperidin-1-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide?
7-cyano-N-[2-(dimethylamino)ethyl]-8-(4-methoxy-4-methylpiperidin-1-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyano-N-[2-(dimethylamino)ethyl]-8-(4-methoxy-4-methylpiperidin-1-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide is sourced from PubChem (CID 164708405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).