(4aR,8aS)-6-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one

C19H27N3O3 — CID 164642381

IUPAC(4aR,8aS)-6-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
SMILESCCCN1C(=O)CC[C@@H]2CN(C(=O)c3cc(C)c(C)[nH]c3=O)CC[C@@H]21
InChIInChI=1S/C19H27N3O3/c1-4-8-22-16-7-9-21(11-14(16)5-6-17(22)23)19(25)15-10-12(2)13(3)20-18(15)24/h10,14,16H,4-9,11H2,1-3H3,(H,20,24)/t14-,16+/m1/s1
InChIKeyRDEHOYRYRKSNFI-ZBFHGGJFSA-N
MW345.44 g/mol
LogP1.85
Rot. Bonds3

About (4aR,8aS)-6-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one

(4aR,8aS)-6-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one (PubChem CID 164642381) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is (4aR,8aS)-6-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name(4aR,8aS)-6-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
PubChem CID164642381
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name(4aR,8aS)-6-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
SMILESCCCN1C(=O)CC[C@@H]2CN(C(=O)c3cc(C)c(C)[nH]c3=O)CC[C@@H]21
InChIInChI=1S/C19H27N3O3/c1-4-8-22-16-7-9-21(11-14(16)5-6-17(22)23)19(25)15-10-12(2)13(3)20-18(15)24/h10,14,16H,4-9,11H2,1-3H3,(H,20,24)/t14-,16+/m1/s1
InChIKeyRDEHOYRYRKSNFI-ZBFHGGJFSA-N
XLogP1.85
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4aR,8aS)-6-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one with MolForge

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Related Compounds

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CID 132426401
CID 143662423
CID 143662423
CID 36772912
CID 36772912
CID 51054997
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CID 52322888
CID 52322888
CID 52322889
CID 52322889
CID 52549509
CID 52549509
CID 52549510
CID 52549510

Frequently Asked Questions

What is the IUPAC name of (4aR,8aS)-6-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
The IUPAC name of (4aR,8aS)-6-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one (CID 164642381) is (4aR,8aS)-6-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one.
What is the SMILES notation for (4aR,8aS)-6-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
The canonical SMILES for (4aR,8aS)-6-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one is CCCN1C(=O)CC[C@@H]2CN(C(=O)c3cc(C)c(C)[nH]c3=O)CC[C@@H]21.
What is the InChIKey of (4aR,8aS)-6-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
The InChIKey is RDEHOYRYRKSNFI-ZBFHGGJFSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-4-8-22-16-7-9-21(11-14(16)5-6-17(22)23)19(25)15-10-12(2)13(3)20-18(15)24/h10,14,16H,4-9,11H2,1-3H3,(H,20,24)/t14-,16+/m1/s1.
What are the key properties of (4aR,8aS)-6-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
(4aR,8aS)-6-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one has a molecular weight of 345.44 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aS)-6-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one is sourced from PubChem (CID 164642381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).