4-[methyl-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methyl]amino]-1H-1,8-naphthyridin-2-one

C18H21N5O — CID 166291767

IUPAC4-[methyl-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methyl]amino]-1H-1,8-naphthyridin-2-one
SMILESCc1cn2c(n1)CCC(CN(C)c1cc(=O)[nH]c3ncccc13)C2
InChIInChI=1S/C18H21N5O/c1-12-9-23-11-13(5-6-16(23)20-12)10-22(2)15-8-17(24)21-18-14(15)4-3-7-19-18/h3-4,7-9,13H,5-6,10-11H2,1-2H3,(H,19,21,24)
InChIKeyRRHGTPGGLOTVEP-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.13
Rot. Bonds3

About 4-[methyl-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methyl]amino]-1H-1,8-naphthyridin-2-one

4-[methyl-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methyl]amino]-1H-1,8-naphthyridin-2-one (PubChem CID 166291767) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-[methyl-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methyl]amino]-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name4-[methyl-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methyl]amino]-1H-1,8-naphthyridin-2-one
PubChem CID166291767
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name4-[methyl-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methyl]amino]-1H-1,8-naphthyridin-2-one
SMILESCc1cn2c(n1)CCC(CN(C)c1cc(=O)[nH]c3ncccc13)C2
InChIInChI=1S/C18H21N5O/c1-12-9-23-11-13(5-6-16(23)20-12)10-22(2)15-8-17(24)21-18-14(15)4-3-7-19-18/h3-4,7-9,13H,5-6,10-11H2,1-2H3,(H,19,21,24)
InChIKeyRRHGTPGGLOTVEP-UHFFFAOYSA-N
XLogP2.13
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methyl]amino]-1H-1,8-naphthyridin-2-one?
The IUPAC name of 4-[methyl-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methyl]amino]-1H-1,8-naphthyridin-2-one (CID 166291767) is 4-[methyl-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methyl]amino]-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 4-[methyl-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methyl]amino]-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 4-[methyl-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methyl]amino]-1H-1,8-naphthyridin-2-one is Cc1cn2c(n1)CCC(CN(C)c1cc(=O)[nH]c3ncccc13)C2.
What is the InChIKey of 4-[methyl-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methyl]amino]-1H-1,8-naphthyridin-2-one?
The InChIKey is RRHGTPGGLOTVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-12-9-23-11-13(5-6-16(23)20-12)10-22(2)15-8-17(24)21-18-14(15)4-3-7-19-18/h3-4,7-9,13H,5-6,10-11H2,1-2H3,(H,19,21,24).
What are the key properties of 4-[methyl-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methyl]amino]-1H-1,8-naphthyridin-2-one?
4-[methyl-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methyl]amino]-1H-1,8-naphthyridin-2-one has a molecular weight of 323.40 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methyl]amino]-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 166291767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).