5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-[(2R)-2-hydroxypropyl]pyridine-2-carboxamide

C24H30N6O3 — CID 167844999

IUPAC5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-[(2R)-2-hydroxypropyl]pyridine-2-carboxamide
SMILESCCC1=CC2N=CC(CN3CCN(c4ccc(C(=O)NC[C@@H](C)O)nc4)CC3)=CC2=NC1=O
InChIInChI=1S/C24H30N6O3/c1-3-18-11-21-22(28-23(18)32)10-17(13-25-21)15-29-6-8-30(9-7-29)19-4-5-20(26-14-19)24(33)27-12-16(2)31/h4-5,10-11,13-14,16,21,31H,3,6-9,12,15H2,1-2H3,(H,27,33)/t16-,21?/m1/s1
InChIKeyFYJHPKFLMRUUEP-UJONTBEJSA-N
MW450.54 g/mol
LogP1.01
Rot. Bonds7

About 5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-[(2R)-2-hydroxypropyl]pyridine-2-carboxamide

5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-[(2R)-2-hydroxypropyl]pyridine-2-carboxamide (PubChem CID 167844999) has the molecular formula C24H30N6O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is 5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-[(2R)-2-hydroxypropyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-[(2R)-2-hydroxypropyl]pyridine-2-carboxamide
PubChem CID167844999
Molecular FormulaC24H30N6O3
Molecular Weight450.54 g/mol
Exact Mass450.24
IUPAC Name5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-[(2R)-2-hydroxypropyl]pyridine-2-carboxamide
SMILESCCC1=CC2N=CC(CN3CCN(c4ccc(C(=O)NC[C@@H](C)O)nc4)CC3)=CC2=NC1=O
InChIInChI=1S/C24H30N6O3/c1-3-18-11-21-22(28-23(18)32)10-17(13-25-21)15-29-6-8-30(9-7-29)19-4-5-20(26-14-19)24(33)27-12-16(2)31/h4-5,10-11,13-14,16,21,31H,3,6-9,12,15H2,1-2H3,(H,27,33)/t16-,21?/m1/s1
InChIKeyFYJHPKFLMRUUEP-UJONTBEJSA-N
XLogP1.01
TPSA110.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-[(2R)-2-hydroxypropyl]pyridine-2-carboxamide with MolForge

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Related Compounds

Saruparib
CID 155586901
5-[4-[(3-ethyl-2-oxidanylidene-1~{H}-quinolin-7-yl)methyl]piperazin-1-yl]-~{N}-methyl-pyridine-2-carboxamide
CID 156596360
Piperazine carbamate/urea derivative 3
CID 89487899
5-[[(3R)-1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]pyrrolidin-3-yl]amino]-N-methylpyridine-2-carboxamide
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5-[6-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-N-methylpyridine-2-carboxamide
CID 168177317
5-[[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]pyrrolidin-3-yl]amino]-N-methylpyridine-2-carboxamide
CID 168177329
N-[4-(4-phenylpiperazin-1-yl)butyl]pyridine-2-carboxamide
CID 11537385
3-(4-(Piperidin-1-yl)benzoylamino)-5-(5-(methylamino)pyridin-3-yl)-(1H)-pyridin-2-one
CID 52936535
N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-(2-pyridin-2-ylethynyl)pyridine-2-carboxamide
CID 72713853
N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-(2-pyridin-3-ylethynyl)pyridine-2-carboxamide
CID 72713854
5-[4-[(3-ethyl-2-oxo-1H-1,6-naphthyridin-7-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 155586926
5-[4-[(2-ethyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-[(2R)-2-hydroxypropyl]pyridine-2-carboxamide?
The IUPAC name of 5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-[(2R)-2-hydroxypropyl]pyridine-2-carboxamide (CID 167844999) is 5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-[(2R)-2-hydroxypropyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-[(2R)-2-hydroxypropyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-[(2R)-2-hydroxypropyl]pyridine-2-carboxamide is CCC1=CC2N=CC(CN3CCN(c4ccc(C(=O)NC[C@@H](C)O)nc4)CC3)=CC2=NC1=O.
What is the InChIKey of 5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-[(2R)-2-hydroxypropyl]pyridine-2-carboxamide?
The InChIKey is FYJHPKFLMRUUEP-UJONTBEJSA-N. The full InChI is InChI=1S/C24H30N6O3/c1-3-18-11-21-22(28-23(18)32)10-17(13-25-21)15-29-6-8-30(9-7-29)19-4-5-20(26-14-19)24(33)27-12-16(2)31/h4-5,10-11,13-14,16,21,31H,3,6-9,12,15H2,1-2H3,(H,27,33)/t16-,21?/m1/s1.
What are the key properties of 5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-[(2R)-2-hydroxypropyl]pyridine-2-carboxamide?
5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-[(2R)-2-hydroxypropyl]pyridine-2-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-[(2R)-2-hydroxypropyl]pyridine-2-carboxamide is sourced from PubChem (CID 167844999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).