N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide

C22H26N6O2S — CID 138587970

IUPACN-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide
SMILESCc1nnc(-c2cnc3cnc(NC(=O)C4CCC(N5CCOCC5)CC4)cc3c2)s1
InChIInChI=1S/C22H26N6O2S/c1-14-26-27-22(31-14)17-10-16-11-20(24-13-19(16)23-12-17)25-21(29)15-2-4-18(5-3-15)28-6-8-30-9-7-28/h10-13,15,18H,2-9H2,1H3,(H,24,25,29)
InChIKeyOLBZNMBASZLDNW-UHFFFAOYSA-N
MW438.56 g/mol
LogP3.29
Rot. Bonds4

About N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide

N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide (PubChem CID 138587970) has the molecular formula C22H26N6O2S and a molecular weight of 438.56 g/mol. Its IUPAC name is N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide
PubChem CID138587970
Molecular FormulaC22H26N6O2S
Molecular Weight438.56 g/mol
Exact Mass438.18
IUPAC NameN-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide
SMILESCc1nnc(-c2cnc3cnc(NC(=O)C4CCC(N5CCOCC5)CC4)cc3c2)s1
InChIInChI=1S/C22H26N6O2S/c1-14-26-27-22(31-14)17-10-16-11-20(24-13-19(16)23-12-17)25-21(29)15-2-4-18(5-3-15)28-6-8-30-9-7-28/h10-13,15,18H,2-9H2,1H3,(H,24,25,29)
InChIKeyOLBZNMBASZLDNW-UHFFFAOYSA-N
XLogP3.29
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.56
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide
CID 138586932
N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide
CID 138589547
1-methyl-1-(1-methylpiperidin-4-yl)-3-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]urea
CID 138589554
N-[3-(2-methyl-1,3-oxazol-4-yl)-1,7-naphthyridin-6-yl]-4-(4-methylpiperazin-1-yl)cyclohexane-1-carboxamide
CID 138588117
1-(1-methylpiperidin-4-yl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]pyrazole-4-carboxamide
CID 138587403
N-[8-methyl-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide
CID 138579956
N-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide
CID 138588296
4-(2-fluoroethylamino)-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]cyclohexane-1-carboxamide
CID 138559228
1-(2,2-difluoroethyl)-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]piperidine-4-carboxamide
CID 138586733
4-(1,3-difluoropropan-2-ylamino)-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]cyclohexane-1-carboxamide
CID 138580150
4-(2-methoxyethylamino)-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]cyclohexane-1-carboxamide
CID 138559201
4-[[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 138588832

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide?
The IUPAC name of N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide (CID 138587970) is N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide is Cc1nnc(-c2cnc3cnc(NC(=O)C4CCC(N5CCOCC5)CC4)cc3c2)s1.
What is the InChIKey of N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide?
The InChIKey is OLBZNMBASZLDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2S/c1-14-26-27-22(31-14)17-10-16-11-20(24-13-19(16)23-12-17)25-21(29)15-2-4-18(5-3-15)28-6-8-30-9-7-28/h10-13,15,18H,2-9H2,1H3,(H,24,25,29).
What are the key properties of N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide?
N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide has a molecular weight of 438.56 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 138587970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).