6-[5-[2-(methylamino)-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C17H19N5O2 — CID 86305420

IUPAC6-[5-[2-(methylamino)-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCNC(=O)Cc1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1
InChIInChI=1S/C17H19N5O2/c1-19-15(23)6-11-5-13(9-20-8-11)14-7-12-3-2-4-22(17(18)24)16(12)21-10-14/h5,7-10H,2-4,6H2,1H3,(H2,18,24)(H,19,23)
InChIKeySBOVJXGHZXYNHJ-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.26
Rot. Bonds3

About 6-[5-[2-(methylamino)-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

6-[5-[2-(methylamino)-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 86305420) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 6-[5-[2-(methylamino)-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name6-[5-[2-(methylamino)-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID86305420
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name6-[5-[2-(methylamino)-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCNC(=O)Cc1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1
InChIInChI=1S/C17H19N5O2/c1-19-15(23)6-11-5-13(9-20-8-11)14-7-12-3-2-4-22(17(18)24)16(12)21-10-14/h5,7-10H,2-4,6H2,1H3,(H2,18,24)(H,19,23)
InChIKeySBOVJXGHZXYNHJ-UHFFFAOYSA-N
XLogP1.26
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[2-(methylamino)-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of 6-[5-[2-(methylamino)-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 86305420) is 6-[5-[2-(methylamino)-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for 6-[5-[2-(methylamino)-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for 6-[5-[2-(methylamino)-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CNC(=O)Cc1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1.
What is the InChIKey of 6-[5-[2-(methylamino)-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is SBOVJXGHZXYNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-19-15(23)6-11-5-13(9-20-8-11)14-7-12-3-2-4-22(17(18)24)16(12)21-10-14/h5,7-10H,2-4,6H2,1H3,(H2,18,24)(H,19,23).
What are the key properties of 6-[5-[2-(methylamino)-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
6-[5-[2-(methylamino)-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[2-(methylamino)-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 86305420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).