N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-6-thiophen-2-yl-1,8-naphthyridine-3-carboxamide

C26H32N4O3S — CID 118719606

IUPACN-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-6-thiophen-2-yl-1,8-naphthyridine-3-carboxamide
SMILESCC1CCC(NC(=O)c2cc3cc(-c4cccs4)cnc3n(CCN3CCOCC3)c2=O)CC1
InChIInChI=1S/C26H32N4O3S/c1-18-4-6-21(7-5-18)28-25(31)22-16-19-15-20(23-3-2-14-34-23)17-27-24(19)30(26(22)32)9-8-29-10-12-33-13-11-29/h2-3,14-18,21H,4-13H2,1H3,(H,28,31)
InChIKeyCTTQTSDKGFSVKM-UHFFFAOYSA-N
MW480.63 g/mol
LogP3.77
Rot. Bonds6

About N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-6-thiophen-2-yl-1,8-naphthyridine-3-carboxamide

N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-6-thiophen-2-yl-1,8-naphthyridine-3-carboxamide (PubChem CID 118719606) has the molecular formula C26H32N4O3S and a molecular weight of 480.63 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-6-thiophen-2-yl-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-6-thiophen-2-yl-1,8-naphthyridine-3-carboxamide
PubChem CID118719606
Molecular FormulaC26H32N4O3S
Molecular Weight480.63 g/mol
Exact Mass480.22
IUPAC NameN-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-6-thiophen-2-yl-1,8-naphthyridine-3-carboxamide
SMILESCC1CCC(NC(=O)c2cc3cc(-c4cccs4)cnc3n(CCN3CCOCC3)c2=O)CC1
InChIInChI=1S/C26H32N4O3S/c1-18-4-6-21(7-5-18)28-25(31)22-16-19-15-20(23-3-2-14-34-23)17-27-24(19)30(26(22)32)9-8-29-10-12-33-13-11-29/h2-3,14-18,21H,4-13H2,1H3,(H,28,31)
InChIKeyCTTQTSDKGFSVKM-UHFFFAOYSA-N
XLogP3.77
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.63
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)-2-oxo-6-thiophen-2-yl-1,8-naphthyridine-3-carboxamide
CID 118719603
6-(4-fluorophenyl)-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 118719607
(E)-N-methyl-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-[3-(2-morpholin-4-ylethyl)-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-6-yl]prop-2-enamide
CID 9849056
N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 44157662
(3R,4R)-N-cyclohexyl-4-[(3-methyl-2-oxo-5-thiophen-2-yl-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide
CID 162654548
(3R,4R)-N-cyclohexyl-4-[(3-methyl-2-oxo-5-thiophen-3-yl-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide
CID 162663273
(3R,4R)-N-cyclohexyl-1-methyl-4-[[3-methyl-5-(3-methylthiophen-2-yl)-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide
CID 162663399
(3R,4R)-N-cyclohexyl-1-methyl-4-[(3-methyl-2-oxo-5-thiophen-2-yl-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide
CID 162666764
(3R,4R)-N-cyclohexyl-1-methyl-4-[[3-methyl-5-(4-methylthiophen-2-yl)-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide
CID 162674525
(3R,4R)-N-cyclohexyl-1-methyl-4-[[3-methyl-5-(5-methylthiophen-2-yl)-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide
CID 162675285
Thiophene-2-carboxylic acid {4-[2-(4-pyridin-2-yl-piperazin-1-yl)-ethyl]-cyclohexyl}-amide
CID 15045455
N-{trans-4-[2-(4-Thieno[3,2-c]pyridin-4-yl-piperazin-1-yl)-ethyl]-cyclohexyl}-propionamide
CID 54769299

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-6-thiophen-2-yl-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-6-thiophen-2-yl-1,8-naphthyridine-3-carboxamide (CID 118719606) is N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-6-thiophen-2-yl-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-6-thiophen-2-yl-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-6-thiophen-2-yl-1,8-naphthyridine-3-carboxamide is CC1CCC(NC(=O)c2cc3cc(-c4cccs4)cnc3n(CCN3CCOCC3)c2=O)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-6-thiophen-2-yl-1,8-naphthyridine-3-carboxamide?
The InChIKey is CTTQTSDKGFSVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3S/c1-18-4-6-21(7-5-18)28-25(31)22-16-19-15-20(23-3-2-14-34-23)17-27-24(19)30(26(22)32)9-8-29-10-12-33-13-11-29/h2-3,14-18,21H,4-13H2,1H3,(H,28,31).
What are the key properties of N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-6-thiophen-2-yl-1,8-naphthyridine-3-carboxamide?
N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-6-thiophen-2-yl-1,8-naphthyridine-3-carboxamide has a molecular weight of 480.63 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-6-thiophen-2-yl-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 118719606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).