5-[(4aS,8aR)-2-oxo-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridine-6-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

C19H24N4O3 — CID 56895658

IUPAC5-[(4aS,8aR)-2-oxo-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridine-6-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCCN1C(=O)CC[C@H]2CN(C(=O)c3cc(C#N)c(=O)[nH]c3C)CC[C@H]21
InChIInChI=1S/C19H24N4O3/c1-3-7-23-16-6-8-22(11-13(16)4-5-17(23)24)19(26)15-9-14(10-20)18(25)21-12(15)2/h9,13,16H,3-8,11H2,1-2H3,(H,21,25)/t13-,16+/m0/s1
InChIKeyYARFXBGYMKIHAX-XJKSGUPXSA-N
MW356.43 g/mol
LogP1.42
Rot. Bonds3

About 5-[(4aS,8aR)-2-oxo-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridine-6-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

5-[(4aS,8aR)-2-oxo-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridine-6-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 56895658) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 5-[(4aS,8aR)-2-oxo-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridine-6-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(4aS,8aR)-2-oxo-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridine-6-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID56895658
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name5-[(4aS,8aR)-2-oxo-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridine-6-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCCN1C(=O)CC[C@H]2CN(C(=O)c3cc(C#N)c(=O)[nH]c3C)CC[C@H]21
InChIInChI=1S/C19H24N4O3/c1-3-7-23-16-6-8-22(11-13(16)4-5-17(23)24)19(26)15-9-14(10-20)18(25)21-12(15)2/h9,13,16H,3-8,11H2,1-2H3,(H,21,25)/t13-,16+/m0/s1
InChIKeyYARFXBGYMKIHAX-XJKSGUPXSA-N
XLogP1.42
TPSA97.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(4aS,8aR)-2-oxo-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridine-6-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(4aS,8aR)-2-oxo-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridine-6-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-[(4aS,8aR)-2-oxo-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridine-6-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 56895658) is 5-[(4aS,8aR)-2-oxo-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridine-6-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-[(4aS,8aR)-2-oxo-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridine-6-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-[(4aS,8aR)-2-oxo-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridine-6-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is CCCN1C(=O)CC[C@H]2CN(C(=O)c3cc(C#N)c(=O)[nH]c3C)CC[C@H]21.
What is the InChIKey of 5-[(4aS,8aR)-2-oxo-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridine-6-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is YARFXBGYMKIHAX-XJKSGUPXSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-3-7-23-16-6-8-22(11-13(16)4-5-17(23)24)19(26)15-9-14(10-20)18(25)21-12(15)2/h9,13,16H,3-8,11H2,1-2H3,(H,21,25)/t13-,16+/m0/s1.
What are the key properties of 5-[(4aS,8aR)-2-oxo-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridine-6-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
5-[(4aS,8aR)-2-oxo-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridine-6-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 356.43 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4aS,8aR)-2-oxo-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridine-6-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 56895658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).