N-[[(2R,5S)-2,5-dimethoxy-2H-furan-5-yl]methyl]-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxamide

C18H21N3O5 — CID 7619833

IUPACN-[[(2R,5S)-2,5-dimethoxy-2H-furan-5-yl]methyl]-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1c(=O)c(C(=O)NC[C@]2(OC)C=C[C@H](OC)O2)cc2cccnc21
InChIInChI=1S/C18H21N3O5/c1-4-21-15-12(6-5-9-19-15)10-13(17(21)23)16(22)20-11-18(25-3)8-7-14(24-2)26-18/h5-10,14H,4,11H2,1-3H3,(H,20,22)/t14-,18+/m1/s1
InChIKeyKQINDVBIOLWJMG-KDOFPFPSSA-N
MW359.38 g/mol
LogP1.05
Rot. Bonds6

About N-[[(2R,5S)-2,5-dimethoxy-2H-furan-5-yl]methyl]-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxamide

N-[[(2R,5S)-2,5-dimethoxy-2H-furan-5-yl]methyl]-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 7619833) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is N-[[(2R,5S)-2,5-dimethoxy-2H-furan-5-yl]methyl]-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[(2R,5S)-2,5-dimethoxy-2H-furan-5-yl]methyl]-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID7619833
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC NameN-[[(2R,5S)-2,5-dimethoxy-2H-furan-5-yl]methyl]-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1c(=O)c(C(=O)NC[C@]2(OC)C=C[C@H](OC)O2)cc2cccnc21
InChIInChI=1S/C18H21N3O5/c1-4-21-15-12(6-5-9-19-15)10-13(17(21)23)16(22)20-11-18(25-3)8-7-14(24-2)26-18/h5-10,14H,4,11H2,1-3H3,(H,20,22)/t14-,18+/m1/s1
InChIKeyKQINDVBIOLWJMG-KDOFPFPSSA-N
XLogP1.05
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_misc_A(5)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 44157583
Nevirapin 2,4-Disubstituted deriv. 12c
CID 464564
1-[2-(2-fluoroethoxy)ethyl]-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 168271706
4-Amino-1,2-Dihydro-2-Oxo-1,8-Naphthyridine-3-Carboxylic Acid Ethyl Ester
CID 12818603
1-Methyl-1,2-Dihydro-2-Oxo-4-(1-Pyrrolidinyl)-1,8-Naphthyridine-3-Carboxylic Acid Ethyl Ester
CID 12818607
Ethyl 4-amino-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylate
CID 12818614
Ethyl 4-amino-2-oxo-1-propyl-1,8-naphthyridine-3-carboxylate
CID 12818618
4-Amino-1-Isobutyl-1,2-Dihydro-2-Oxo-1,8-Naphthyridine-3-Carboxylic Acid Ethyl Ester
CID 12818619
4-Amino-1-Cyclohexyl-1,2-Dihydro-2-Oxo-1,8-Naphthyridine-3-Carboxylic Acid Ethyl Ester
CID 12818620
1-Allyl-4-amino-1,2-dihydro-2-oxo-1,8-naphthyridine-3-carboxylic acid ethyl ester
CID 12818621
4-Amino-1-ethyl-1,2-dihydro-2-oxo-1,8-naphthyridine-3-carboxylic acid ethyl ester
CID 12818632
Ethyl 4-(diacetylamino)-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylate
CID 12818633

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,5S)-2,5-dimethoxy-2H-furan-5-yl]methyl]-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[[(2R,5S)-2,5-dimethoxy-2H-furan-5-yl]methyl]-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxamide (CID 7619833) is N-[[(2R,5S)-2,5-dimethoxy-2H-furan-5-yl]methyl]-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[[(2R,5S)-2,5-dimethoxy-2H-furan-5-yl]methyl]-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[[(2R,5S)-2,5-dimethoxy-2H-furan-5-yl]methyl]-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxamide is CCn1c(=O)c(C(=O)NC[C@]2(OC)C=C[C@H](OC)O2)cc2cccnc21.
What is the InChIKey of N-[[(2R,5S)-2,5-dimethoxy-2H-furan-5-yl]methyl]-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is KQINDVBIOLWJMG-KDOFPFPSSA-N. The full InChI is InChI=1S/C18H21N3O5/c1-4-21-15-12(6-5-9-19-15)10-13(17(21)23)16(22)20-11-18(25-3)8-7-14(24-2)26-18/h5-10,14H,4,11H2,1-3H3,(H,20,22)/t14-,18+/m1/s1.
What are the key properties of N-[[(2R,5S)-2,5-dimethoxy-2H-furan-5-yl]methyl]-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxamide?
N-[[(2R,5S)-2,5-dimethoxy-2H-furan-5-yl]methyl]-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 359.38 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,5S)-2,5-dimethoxy-2H-furan-5-yl]methyl]-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 7619833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).