2-(2-chloro-6-propan-2-yl-3-pyridinyl)-8-methyl-5,6-dihydro-1,5-naphthyridine-3-carbonitrile;ethane;methoxyethane

C23H31ClN4O — CID 143579971

IUPAC2-(2-chloro-6-propan-2-yl-3-pyridinyl)-8-methyl-5,6-dihydro-1,5-naphthyridine-3-carbonitrile;ethane;methoxyethane
SMILESCC.CC1=CCNc2cc(C#N)c(-c3ccc(C(C)C)nc3Cl)nc21.CCOC
InChIInChI=1S/C18H17ClN4.C3H8O.C2H6/c1-10(2)14-5-4-13(18(19)22-14)17-12(9-20)8-15-16(23-17)11(3)6-7-21-15;1-3-4-2;1-2/h4-6,8,10,21H,7H2,1-3H3;3H2,1-2H3;1-2H3
InChIKeyJZWCXCCIVXDZJZ-UHFFFAOYSA-N
MW414.98 g/mol
LogP6.30
Rot. Bonds3

About 2-(2-chloro-6-propan-2-yl-3-pyridinyl)-8-methyl-5,6-dihydro-1,5-naphthyridine-3-carbonitrile;ethane;methoxyethane

2-(2-chloro-6-propan-2-yl-3-pyridinyl)-8-methyl-5,6-dihydro-1,5-naphthyridine-3-carbonitrile;ethane;methoxyethane (PubChem CID 143579971) has the molecular formula C23H31ClN4O and a molecular weight of 414.98 g/mol. Its IUPAC name is 2-(2-chloro-6-propan-2-yl-3-pyridinyl)-8-methyl-5,6-dihydro-1,5-naphthyridine-3-carbonitrile;ethane;methoxyethane.

Molecular Properties

Compound Name2-(2-chloro-6-propan-2-yl-3-pyridinyl)-8-methyl-5,6-dihydro-1,5-naphthyridine-3-carbonitrile;ethane;methoxyethane
PubChem CID143579971
Molecular FormulaC23H31ClN4O
Molecular Weight414.98 g/mol
Exact Mass414.22
IUPAC Name2-(2-chloro-6-propan-2-yl-3-pyridinyl)-8-methyl-5,6-dihydro-1,5-naphthyridine-3-carbonitrile;ethane;methoxyethane
SMILESCC.CC1=CCNc2cc(C#N)c(-c3ccc(C(C)C)nc3Cl)nc21.CCOC
InChIInChI=1S/C18H17ClN4.C3H8O.C2H6/c1-10(2)14-5-4-13(18(19)22-14)17-12(9-20)8-15-16(23-17)11(3)6-7-21-15;1-3-4-2;1-2/h4-6,8,10,21H,7H2,1-3H3;3H2,1-2H3;1-2H3
InChIKeyJZWCXCCIVXDZJZ-UHFFFAOYSA-N
XLogP6.30
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.98
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-3-methyl-5-(2-methyl-6-propan-2-yl-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridine;fluoroethane;methoxyethane
CID 143015242
ethane;methoxyethane;6-methoxy-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine
CID 143014938
6-chloro-5-(2-ethyl-6-propan-2-yl-3-pyridinyl)-1-(1-methoxypropan-2-yl)-3-methylpyrrolo[3,2-b]pyridine
CID 58702927
2-chloro-6-ethoxypyridine-3-carbonitrile
CID 14687435
2-chloro-5-methyl-6-propylpyridine-3-carbonitrile
CID 112757206
CID 87895810
CID 87895810
(2-chloro-6-propan-2-yl-3-pyridinyl)methanol
CID 58333500
(5R)-6-(2-methoxyethyl)-5,9-dimethyl-2-(6-propan-2-yl-2-propyl-3-pyridinyl)-6,7-dihydro-5H-cyclohepta[b]pyridine
CID 143580169
2-chloro-N-methyl-6-propan-2-ylpyridin-3-amine;ethane
CID 176926162
2-methyl-6-(3-methylbutan-2-yl)pyridine-3-carbonitrile
CID 139473327
1-butan-2-yl-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridine
CID 58702847
8-methoxy-2-propan-2-ylquinoline-4-carbonitrile
CID 82449685

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-propan-2-yl-3-pyridinyl)-8-methyl-5,6-dihydro-1,5-naphthyridine-3-carbonitrile;ethane;methoxyethane?
The IUPAC name of 2-(2-chloro-6-propan-2-yl-3-pyridinyl)-8-methyl-5,6-dihydro-1,5-naphthyridine-3-carbonitrile;ethane;methoxyethane (CID 143579971) is 2-(2-chloro-6-propan-2-yl-3-pyridinyl)-8-methyl-5,6-dihydro-1,5-naphthyridine-3-carbonitrile;ethane;methoxyethane.
What is the SMILES notation for 2-(2-chloro-6-propan-2-yl-3-pyridinyl)-8-methyl-5,6-dihydro-1,5-naphthyridine-3-carbonitrile;ethane;methoxyethane?
The canonical SMILES for 2-(2-chloro-6-propan-2-yl-3-pyridinyl)-8-methyl-5,6-dihydro-1,5-naphthyridine-3-carbonitrile;ethane;methoxyethane is CC.CC1=CCNc2cc(C#N)c(-c3ccc(C(C)C)nc3Cl)nc21.CCOC.
What is the InChIKey of 2-(2-chloro-6-propan-2-yl-3-pyridinyl)-8-methyl-5,6-dihydro-1,5-naphthyridine-3-carbonitrile;ethane;methoxyethane?
The InChIKey is JZWCXCCIVXDZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4.C3H8O.C2H6/c1-10(2)14-5-4-13(18(19)22-14)17-12(9-20)8-15-16(23-17)11(3)6-7-21-15;1-3-4-2;1-2/h4-6,8,10,21H,7H2,1-3H3;3H2,1-2H3;1-2H3.
What are the key properties of 2-(2-chloro-6-propan-2-yl-3-pyridinyl)-8-methyl-5,6-dihydro-1,5-naphthyridine-3-carbonitrile;ethane;methoxyethane?
2-(2-chloro-6-propan-2-yl-3-pyridinyl)-8-methyl-5,6-dihydro-1,5-naphthyridine-3-carbonitrile;ethane;methoxyethane has a molecular weight of 414.98 g/mol, XLogP of 6.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-propan-2-yl-3-pyridinyl)-8-methyl-5,6-dihydro-1,5-naphthyridine-3-carbonitrile;ethane;methoxyethane is sourced from PubChem (CID 143579971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).