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

C19H22FN7OS — CID 138589977

IUPAC4-(2-fluoroethylamino)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]piperidine-1-carboxamide
SMILESCc1nnc(-c2ccc3cnc(NC(=O)N4CCC(NCCF)CC4)cc3n2)s1
InChIInChI=1S/C19H22FN7OS/c1-12-25-26-18(29-12)15-3-2-13-11-22-17(10-16(13)23-15)24-19(28)27-8-4-14(5-9-27)21-7-6-20/h2-3,10-11,14,21H,4-9H2,1H3,(H,22,24,28)
InChIKeyFCTNCBVKGWMNDJ-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.01
Rot. Bonds5

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

4-(2-fluoroethylamino)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]piperidine-1-carboxamide (PubChem CID 138589977) has the molecular formula C19H22FN7OS and a molecular weight of 415.50 g/mol. Its IUPAC name is 4-(2-fluoroethylamino)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-fluoroethylamino)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]piperidine-1-carboxamide
PubChem CID138589977
Molecular FormulaC19H22FN7OS
Molecular Weight415.50 g/mol
Exact Mass415.16
IUPAC Name4-(2-fluoroethylamino)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]piperidine-1-carboxamide
SMILESCc1nnc(-c2ccc3cnc(NC(=O)N4CCC(NCCF)CC4)cc3n2)s1
InChIInChI=1S/C19H22FN7OS/c1-12-25-26-18(29-12)15-3-2-13-11-22-17(10-16(13)23-15)24-19(28)27-8-4-14(5-9-27)21-7-6-20/h2-3,10-11,14,21H,4-9H2,1H3,(H,22,24,28)
InChIKeyFCTNCBVKGWMNDJ-UHFFFAOYSA-N
XLogP3.01
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethylamino)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]piperidine-1-carboxamide?
The IUPAC name of 4-(2-fluoroethylamino)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]piperidine-1-carboxamide (CID 138589977) is 4-(2-fluoroethylamino)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-fluoroethylamino)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-(2-fluoroethylamino)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]piperidine-1-carboxamide is Cc1nnc(-c2ccc3cnc(NC(=O)N4CCC(NCCF)CC4)cc3n2)s1.
What is the InChIKey of 4-(2-fluoroethylamino)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]piperidine-1-carboxamide?
The InChIKey is FCTNCBVKGWMNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN7OS/c1-12-25-26-18(29-12)15-3-2-13-11-22-17(10-16(13)23-15)24-19(28)27-8-4-14(5-9-27)21-7-6-20/h2-3,10-11,14,21H,4-9H2,1H3,(H,22,24,28).
What are the key properties of 4-(2-fluoroethylamino)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]piperidine-1-carboxamide?
4-(2-fluoroethylamino)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]piperidine-1-carboxamide has a molecular weight of 415.50 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethylamino)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]piperidine-1-carboxamide is sourced from PubChem (CID 138589977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).