4-[(4aR,8aR)-1-cyclopropyl-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2,6-dimethylpyridine-3-carbonitrile

C19H24N4O — CID 97067599

IUPAC4-[(4aR,8aR)-1-cyclopropyl-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(N2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)c(C#N)c(C)n1
InChIInChI=1S/C19H24N4O/c1-12-9-18(16(10-20)13(2)21-12)22-8-7-17-14(11-22)3-6-19(24)23(17)15-4-5-15/h9,14-15,17H,3-8,11H2,1-2H3/t14-,17-/m1/s1
InChIKeyOOJDNZURKMZMQY-RHSMWYFYSA-N
MW324.43 g/mol
LogP2.55
Rot. Bonds2

About 4-[(4aR,8aR)-1-cyclopropyl-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2,6-dimethylpyridine-3-carbonitrile

4-[(4aR,8aR)-1-cyclopropyl-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 97067599) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 4-[(4aR,8aR)-1-cyclopropyl-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[(4aR,8aR)-1-cyclopropyl-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2,6-dimethylpyridine-3-carbonitrile
PubChem CID97067599
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name4-[(4aR,8aR)-1-cyclopropyl-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(N2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)c(C#N)c(C)n1
InChIInChI=1S/C19H24N4O/c1-12-9-18(16(10-20)13(2)21-12)22-8-7-17-14(11-22)3-6-19(24)23(17)15-4-5-15/h9,14-15,17H,3-8,11H2,1-2H3/t14-,17-/m1/s1
InChIKeyOOJDNZURKMZMQY-RHSMWYFYSA-N
XLogP2.55
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[(4aR,8aR)-1-cyclopropyl-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2,6-dimethylpyridine-3-carbonitrile with MolForge

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Related Compounds

2,6-dimethyl-4-[3-(methylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 113282062
4-(3-hydroxy-4-methylpiperidin-1-yl)-2,6-dimethylpyridine-3-carbonitrile
CID 103896228
5-(1-cyclopropyl-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl)pyridine-2-carbonitrile
CID 86782096
5-[(4aS,8aS)-1-cyclopropyl-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]pyridine-2-carbonitrile
CID 99851194
4-(3-amino-4-methylpiperidin-1-yl)-2,6-dimethylpyridine-3-carbonitrile
CID 81052020
4-[3-(aminomethyl)pyrrolidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
CID 81052251
1-cyclopropyl-6-(6-ethyl-2-methylpyrimidin-4-yl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 133461987
4-(4-ethyl-3-methylpiperazin-1-yl)-2,6-dimethylpyridine-3-carbonitrile
CID 81061155
4-[3-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
CID 103823129
4-[4-(azepane-1-carbonyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
CID 133396507
2,6-dimethyl-4-(4-propan-2-ylazepan-1-yl)pyridine-3-carbonitrile
CID 81060762
2-[(4aS,8aR)-1-(4-hydroxybutyl)-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-4,6-dimethylpyridine-3-carbonitrile
CID 56895240

Frequently Asked Questions

What is the IUPAC name of 4-[(4aR,8aR)-1-cyclopropyl-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-[(4aR,8aR)-1-cyclopropyl-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2,6-dimethylpyridine-3-carbonitrile (CID 97067599) is 4-[(4aR,8aR)-1-cyclopropyl-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-[(4aR,8aR)-1-cyclopropyl-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-[(4aR,8aR)-1-cyclopropyl-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(N2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)c(C#N)c(C)n1.
What is the InChIKey of 4-[(4aR,8aR)-1-cyclopropyl-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is OOJDNZURKMZMQY-RHSMWYFYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-12-9-18(16(10-20)13(2)21-12)22-8-7-17-14(11-22)3-6-19(24)23(17)15-4-5-15/h9,14-15,17H,3-8,11H2,1-2H3/t14-,17-/m1/s1.
What are the key properties of 4-[(4aR,8aR)-1-cyclopropyl-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2,6-dimethylpyridine-3-carbonitrile?
4-[(4aR,8aR)-1-cyclopropyl-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 324.43 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4aR,8aR)-1-cyclopropyl-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 97067599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).