N-(cyclohexylmethyl)-1-[6-(1-hydroxyethenyl)-4-methyl-5-oxo-8-(1,3-thiazol-2-yl)-1,8-naphthyridin-2-yl]azetidine-3-carboxamide

C25H29N5O3S — CID 146344857

IUPACN-(cyclohexylmethyl)-1-[6-(1-hydroxyethenyl)-4-methyl-5-oxo-8-(1,3-thiazol-2-yl)-1,8-naphthyridin-2-yl]azetidine-3-carboxamide
SMILESC=C(O)c1cn(-c2nccs2)c2nc(N3CC(C(=O)NCC4CCCCC4)C3)cc(C)c2c1=O
InChIInChI=1S/C25H29N5O3S/c1-15-10-20(29-12-18(13-29)24(33)27-11-17-6-4-3-5-7-17)28-23-21(15)22(32)19(16(2)31)14-30(23)25-26-8-9-34-25/h8-10,14,17-18,31H,2-7,11-13H2,1H3,(H,27,33)
InChIKeyCOBLPASSHDYHLJ-UHFFFAOYSA-N
MW479.61 g/mol
LogP3.81
Rot. Bonds6

About N-(cyclohexylmethyl)-1-[6-(1-hydroxyethenyl)-4-methyl-5-oxo-8-(1,3-thiazol-2-yl)-1,8-naphthyridin-2-yl]azetidine-3-carboxamide

N-(cyclohexylmethyl)-1-[6-(1-hydroxyethenyl)-4-methyl-5-oxo-8-(1,3-thiazol-2-yl)-1,8-naphthyridin-2-yl]azetidine-3-carboxamide (PubChem CID 146344857) has the molecular formula C25H29N5O3S and a molecular weight of 479.61 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-[6-(1-hydroxyethenyl)-4-methyl-5-oxo-8-(1,3-thiazol-2-yl)-1,8-naphthyridin-2-yl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-[6-(1-hydroxyethenyl)-4-methyl-5-oxo-8-(1,3-thiazol-2-yl)-1,8-naphthyridin-2-yl]azetidine-3-carboxamide
PubChem CID146344857
Molecular FormulaC25H29N5O3S
Molecular Weight479.61 g/mol
Exact Mass479.20
IUPAC NameN-(cyclohexylmethyl)-1-[6-(1-hydroxyethenyl)-4-methyl-5-oxo-8-(1,3-thiazol-2-yl)-1,8-naphthyridin-2-yl]azetidine-3-carboxamide
SMILESC=C(O)c1cn(-c2nccs2)c2nc(N3CC(C(=O)NCC4CCCCC4)C3)cc(C)c2c1=O
InChIInChI=1S/C25H29N5O3S/c1-15-10-20(29-12-18(13-29)24(33)27-11-17-6-4-3-5-7-17)28-23-21(15)22(32)19(16(2)31)14-30(23)25-26-8-9-34-25/h8-10,14,17-18,31H,2-7,11-13H2,1H3,(H,27,33)
InChIKeyCOBLPASSHDYHLJ-UHFFFAOYSA-N
XLogP3.81
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.61
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

7-[3-(cyclohexylcarbamoyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142435231
7-(3-carboxyazetidin-1-yl)-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142435198
7-[3-(2-hydroxyacetyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 158713347
7-[3-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142434905
7-[3-(furan-2-ylmethylcarbamoyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142434989
7-(3-aminoazetidin-1-yl)-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142434637
7-[3-(1-ethoxybutan-2-ylcarbamoyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142434679
5-methyl-7-[3-[(6-methyl-2-pyridinyl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142434694
6-fluoro-5-methoxy-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142434663
7-[3-[4-(hydroxymethyl)pyrazol-1-yl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142435626
7-[3-[butanoyl(methyl)amino]azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142435395
5-methyl-N,4-dioxo-7-[3-(propanoylamino)azetidin-1-yl]-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxamide
CID 146345412

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-[6-(1-hydroxyethenyl)-4-methyl-5-oxo-8-(1,3-thiazol-2-yl)-1,8-naphthyridin-2-yl]azetidine-3-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-1-[6-(1-hydroxyethenyl)-4-methyl-5-oxo-8-(1,3-thiazol-2-yl)-1,8-naphthyridin-2-yl]azetidine-3-carboxamide (CID 146344857) is N-(cyclohexylmethyl)-1-[6-(1-hydroxyethenyl)-4-methyl-5-oxo-8-(1,3-thiazol-2-yl)-1,8-naphthyridin-2-yl]azetidine-3-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-1-[6-(1-hydroxyethenyl)-4-methyl-5-oxo-8-(1,3-thiazol-2-yl)-1,8-naphthyridin-2-yl]azetidine-3-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-1-[6-(1-hydroxyethenyl)-4-methyl-5-oxo-8-(1,3-thiazol-2-yl)-1,8-naphthyridin-2-yl]azetidine-3-carboxamide is C=C(O)c1cn(-c2nccs2)c2nc(N3CC(C(=O)NCC4CCCCC4)C3)cc(C)c2c1=O.
What is the InChIKey of N-(cyclohexylmethyl)-1-[6-(1-hydroxyethenyl)-4-methyl-5-oxo-8-(1,3-thiazol-2-yl)-1,8-naphthyridin-2-yl]azetidine-3-carboxamide?
The InChIKey is COBLPASSHDYHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3S/c1-15-10-20(29-12-18(13-29)24(33)27-11-17-6-4-3-5-7-17)28-23-21(15)22(32)19(16(2)31)14-30(23)25-26-8-9-34-25/h8-10,14,17-18,31H,2-7,11-13H2,1H3,(H,27,33).
What are the key properties of N-(cyclohexylmethyl)-1-[6-(1-hydroxyethenyl)-4-methyl-5-oxo-8-(1,3-thiazol-2-yl)-1,8-naphthyridin-2-yl]azetidine-3-carboxamide?
N-(cyclohexylmethyl)-1-[6-(1-hydroxyethenyl)-4-methyl-5-oxo-8-(1,3-thiazol-2-yl)-1,8-naphthyridin-2-yl]azetidine-3-carboxamide has a molecular weight of 479.61 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-[6-(1-hydroxyethenyl)-4-methyl-5-oxo-8-(1,3-thiazol-2-yl)-1,8-naphthyridin-2-yl]azetidine-3-carboxamide is sourced from PubChem (CID 146344857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).