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

C19H23N5O3 — CID 155019254

IUPAC7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N,N-dimethyl-6-oxo-5H-1,5-naphthyridine-2-carboxamide
SMILESCOC1(C)CCN(c2c(C#N)c(=O)[nH]c3ccc(C(=O)N(C)C)nc23)CC1
InChIInChI=1S/C19H23N5O3/c1-19(27-4)7-9-24(10-8-19)16-12(11-20)17(25)22-13-5-6-14(21-15(13)16)18(26)23(2)3/h5-6H,7-10H2,1-4H3,(H,22,25)
InChIKeyMSAUSYBVNVNWNR-UHFFFAOYSA-N
MW369.43 g/mol
LogP1.50
Rot. Bonds3

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

7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N,N-dimethyl-6-oxo-5H-1,5-naphthyridine-2-carboxamide (PubChem CID 155019254) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N,N-dimethyl-6-oxo-5H-1,5-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N,N-dimethyl-6-oxo-5H-1,5-naphthyridine-2-carboxamide
PubChem CID155019254
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N,N-dimethyl-6-oxo-5H-1,5-naphthyridine-2-carboxamide
SMILESCOC1(C)CCN(c2c(C#N)c(=O)[nH]c3ccc(C(=O)N(C)C)nc23)CC1
InChIInChI=1S/C19H23N5O3/c1-19(27-4)7-9-24(10-8-19)16-12(11-20)17(25)22-13-5-6-14(21-15(13)16)18(26)23(2)3/h5-6H,7-10H2,1-4H3,(H,22,25)
InChIKeyMSAUSYBVNVNWNR-UHFFFAOYSA-N
XLogP1.50
TPSA102.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N,N-dimethyl-6-oxo-5H-1,5-naphthyridine-2-carboxamide?
The IUPAC name of 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N,N-dimethyl-6-oxo-5H-1,5-naphthyridine-2-carboxamide (CID 155019254) is 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N,N-dimethyl-6-oxo-5H-1,5-naphthyridine-2-carboxamide.
What is the SMILES notation for 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N,N-dimethyl-6-oxo-5H-1,5-naphthyridine-2-carboxamide?
The canonical SMILES for 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N,N-dimethyl-6-oxo-5H-1,5-naphthyridine-2-carboxamide is COC1(C)CCN(c2c(C#N)c(=O)[nH]c3ccc(C(=O)N(C)C)nc23)CC1.
What is the InChIKey of 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N,N-dimethyl-6-oxo-5H-1,5-naphthyridine-2-carboxamide?
The InChIKey is MSAUSYBVNVNWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-19(27-4)7-9-24(10-8-19)16-12(11-20)17(25)22-13-5-6-14(21-15(13)16)18(26)23(2)3/h5-6H,7-10H2,1-4H3,(H,22,25).
What are the key properties of 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N,N-dimethyl-6-oxo-5H-1,5-naphthyridine-2-carboxamide?
7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N,N-dimethyl-6-oxo-5H-1,5-naphthyridine-2-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N,N-dimethyl-6-oxo-5H-1,5-naphthyridine-2-carboxamide is sourced from PubChem (CID 155019254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).