(3R)-6-[(7-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-N-phenacyl-3,4-dihydro-2H-chromene-3-carboxamide

C26H25N3O5 — CID 166959950

IUPAC(3R)-6-[(7-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-N-phenacyl-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(CNC(=O)[C@H]1COc2ccc(Oc3ccnc4c3CCC(O)N4)cc2C1)c1ccccc1
InChIInChI=1S/C26H25N3O5/c30-21(16-4-2-1-3-5-16)14-28-26(32)18-12-17-13-19(6-8-22(17)33-15-18)34-23-10-11-27-25-20(23)7-9-24(31)29-25/h1-6,8,10-11,13,18,24,31H,7,9,12,14-15H2,(H,27,29)(H,28,32)/t18-,24?/m1/s1
InChIKeyUSVPKRTYLYPNMQ-QFADGXAASA-N
MW459.50 g/mol
LogP3.10
Rot. Bonds6

About (3R)-6-[(7-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-N-phenacyl-3,4-dihydro-2H-chromene-3-carboxamide

(3R)-6-[(7-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-N-phenacyl-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 166959950) has the molecular formula C26H25N3O5 and a molecular weight of 459.50 g/mol. Its IUPAC name is (3R)-6-[(7-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-N-phenacyl-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3R)-6-[(7-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-N-phenacyl-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID166959950
Molecular FormulaC26H25N3O5
Molecular Weight459.50 g/mol
Exact Mass459.18
IUPAC Name(3R)-6-[(7-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-N-phenacyl-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(CNC(=O)[C@H]1COc2ccc(Oc3ccnc4c3CCC(O)N4)cc2C1)c1ccccc1
InChIInChI=1S/C26H25N3O5/c30-21(16-4-2-1-3-5-16)14-28-26(32)18-12-17-13-19(6-8-22(17)33-15-18)34-23-10-11-27-25-20(23)7-9-24(31)29-25/h1-6,8,10-11,13,18,24,31H,7,9,12,14-15H2,(H,27,29)(H,28,32)/t18-,24?/m1/s1
InChIKeyUSVPKRTYLYPNMQ-QFADGXAASA-N
XLogP3.10
TPSA109.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.50
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (3R)-6-[(7-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-N-phenacyl-3,4-dihydro-2H-chromene-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-(4-fluorophenyl)-4-[6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromen-3-yl]butane-1,4-dione
CID 163820877
5-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 118948531
N-(2-benzamidophenyl)-6-ethoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 86896297
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 175826677
3-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid
CID 119350891
6-methoxy-N-propyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578230
6-methoxy-N-[(1-phenyltetrazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 86285836
(3R)-6-methoxy-N-[(1-phenyltetrazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 99978340
(3S)-N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 92713329
N-(2-bromoprop-2-enyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 113227517
5-[[3-(4-methyl-1H-benzimidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 163561075
5-[[3-(5-acetyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 162712938

Frequently Asked Questions

What is the IUPAC name of (3R)-6-[(7-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-N-phenacyl-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3R)-6-[(7-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-N-phenacyl-3,4-dihydro-2H-chromene-3-carboxamide (CID 166959950) is (3R)-6-[(7-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-N-phenacyl-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3R)-6-[(7-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-N-phenacyl-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3R)-6-[(7-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-N-phenacyl-3,4-dihydro-2H-chromene-3-carboxamide is O=C(CNC(=O)[C@H]1COc2ccc(Oc3ccnc4c3CCC(O)N4)cc2C1)c1ccccc1.
What is the InChIKey of (3R)-6-[(7-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-N-phenacyl-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is USVPKRTYLYPNMQ-QFADGXAASA-N. The full InChI is InChI=1S/C26H25N3O5/c30-21(16-4-2-1-3-5-16)14-28-26(32)18-12-17-13-19(6-8-22(17)33-15-18)34-23-10-11-27-25-20(23)7-9-24(31)29-25/h1-6,8,10-11,13,18,24,31H,7,9,12,14-15H2,(H,27,29)(H,28,32)/t18-,24?/m1/s1.
What are the key properties of (3R)-6-[(7-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-N-phenacyl-3,4-dihydro-2H-chromene-3-carboxamide?
(3R)-6-[(7-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-N-phenacyl-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 459.50 g/mol, XLogP of 3.10, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-[(7-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-N-phenacyl-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 166959950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).