4-(4-chloro-1,6-naphthyridin-2-yl)-N,N-diethylbenzamide;2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine;4-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-1,6-naphthyridin-2-yl]-N,N-diethylbenzamide

C50H63ClN10O6S2 — CID 157318731

IUPAC4-(4-chloro-1,6-naphthyridin-2-yl)-N,N-diethylbenzamide;2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine;4-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-1,6-naphthyridin-2-yl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(-c2cc(Cl)c3cnccc3n2)cc1.CCN(CC)C(=O)c1ccc(-c2cc(NCCN3CCS(=O)(=O)CC3)c3cnccc3n2)cc1.NCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C25H31N5O3S.C19H18ClN3O.C6H14N2O2S/c1-3-30(4-2)25(31)20-7-5-19(6-8-20)23-17-24(21-18-26-10-9-22(21)28-23)27-11-12-29-13-15-34(32,33)16-14-29;1-3-23(4-2)19(24)14-7-5-13(6-8-14)18-11-16(20)15-12-21-10-9-17(15)22-18;7-1-2-8-3-5-11(9,10)6-4-8/h5-10,17-18H,3-4,11-16H2,1-2H3,(H,27,28);5-12H,3-4H2,1-2H3;1-7H2
InChIKeyBDXIAZHRBDRQMI-UHFFFAOYSA-N
MW999.70 g/mol
LogP6.03
Rot. Bonds14

About 4-(4-chloro-1,6-naphthyridin-2-yl)-N,N-diethylbenzamide;2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine;4-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-1,6-naphthyridin-2-yl]-N,N-diethylbenzamide

4-(4-chloro-1,6-naphthyridin-2-yl)-N,N-diethylbenzamide;2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine;4-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-1,6-naphthyridin-2-yl]-N,N-diethylbenzamide (PubChem CID 157318731) has the molecular formula C50H63ClN10O6S2 and a molecular weight of 999.70 g/mol. Its IUPAC name is 4-(4-chloro-1,6-naphthyridin-2-yl)-N,N-diethylbenzamide;2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine;4-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-1,6-naphthyridin-2-yl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-(4-chloro-1,6-naphthyridin-2-yl)-N,N-diethylbenzamide;2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine;4-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-1,6-naphthyridin-2-yl]-N,N-diethylbenzamide
PubChem CID157318731
Molecular FormulaC50H63ClN10O6S2
Molecular Weight999.70 g/mol
Exact Mass998.41
IUPAC Name4-(4-chloro-1,6-naphthyridin-2-yl)-N,N-diethylbenzamide;2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine;4-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-1,6-naphthyridin-2-yl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(-c2cc(Cl)c3cnccc3n2)cc1.CCN(CC)C(=O)c1ccc(-c2cc(NCCN3CCS(=O)(=O)CC3)c3cnccc3n2)cc1.NCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C25H31N5O3S.C19H18ClN3O.C6H14N2O2S/c1-3-30(4-2)25(31)20-7-5-19(6-8-20)23-17-24(21-18-26-10-9-22(21)28-23)27-11-12-29-13-15-34(32,33)16-14-29;1-3-23(4-2)19(24)14-7-5-13(6-8-14)18-11-16(20)15-12-21-10-9-17(15)22-18;7-1-2-8-3-5-11(9,10)6-4-8/h5-10,17-18H,3-4,11-16H2,1-2H3,(H,27,28);5-12H,3-4H2,1-2H3;1-7H2
InChIKeyBDXIAZHRBDRQMI-UHFFFAOYSA-N
XLogP6.03
TPSA204.99 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500999.70
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 4-(4-chloro-1,6-naphthyridin-2-yl)-N,N-diethylbenzamide;2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine;4-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-1,6-naphthyridin-2-yl]-N,N-diethylbenzamide with MolForge

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Related Compounds

8-(4-Chloro-2-fluorophenyl)-N-(2-(methylsulfonyl)ethyl)-1,6-naphthyridine-2-carboxamide
CID 90182337
5-(4-chloro-2-fluorophenyl)-N-(2-methylsulfonylethyl)-1,7-naphthyridine-3-carboxamide;5-(2-fluorophenyl)-N-(2,2,2-trifluoroethyl)-1,7-naphthyridine-3-carboxamide
CID 157191046
8-[4-(aminomethyl)phenyl]-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-(2-hydroxyethyl)-1,6-naphthyridine-2-carboxamide;3-methyl-8-[4-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide
CID 160004359
6-Tert-butylsulfonyl-4-[(5-chloro-3-pyridinyl)amino]-8-methylquinoline-3-carboxamide;4-[(5-chloro-3-pyridinyl)amino]-8-methyl-6-propylsulfonylquinoline-3-carboxamide
CID 69498744
[8-(4-Chloro-phenyl)-[1,6]naphthyridin-2-yl]-(1,1-dioxo-thiomorpholin-4-yl)-methanone
CID 75204010
8-(4-Chlorophenyl)-N-(2-(methylsulfonyl)ethyl)-1,6-naphthyridine-2-carboxamide
CID 75204011
4-[4-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propylamino]-1,6-naphthyridin-2-yl]-N,N-diethylbenzamide
CID 135371507
4-(4-chloro-1,6-naphthyridin-2-yl)-N-(3-piperidin-1-ylpropyl)benzamide
CID 135371665
N,N-diethyl-4-[4-[2-(4-methylsulfonylpiperazin-1-yl)ethylamino]-1,6-naphthyridin-2-yl]benzamide
CID 135372285
4-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-1,6-naphthyridin-2-yl]-N,N-diethylbenzamide
CID 135372376
4-(4-chloro-1,6-naphthyridin-2-yl)-N-(1-methylpiperidin-4-yl)benzamide
CID 135372458
N,N-diethyl-4-[4-[3-(4-methylsulfonylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-yl]benzamide
CID 135372657

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-1,6-naphthyridin-2-yl)-N,N-diethylbenzamide;2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine;4-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-1,6-naphthyridin-2-yl]-N,N-diethylbenzamide?
The IUPAC name of 4-(4-chloro-1,6-naphthyridin-2-yl)-N,N-diethylbenzamide;2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine;4-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-1,6-naphthyridin-2-yl]-N,N-diethylbenzamide (CID 157318731) is 4-(4-chloro-1,6-naphthyridin-2-yl)-N,N-diethylbenzamide;2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine;4-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-1,6-naphthyridin-2-yl]-N,N-diethylbenzamide.
What is the SMILES notation for 4-(4-chloro-1,6-naphthyridin-2-yl)-N,N-diethylbenzamide;2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine;4-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-1,6-naphthyridin-2-yl]-N,N-diethylbenzamide?
The canonical SMILES for 4-(4-chloro-1,6-naphthyridin-2-yl)-N,N-diethylbenzamide;2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine;4-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-1,6-naphthyridin-2-yl]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(-c2cc(Cl)c3cnccc3n2)cc1.CCN(CC)C(=O)c1ccc(-c2cc(NCCN3CCS(=O)(=O)CC3)c3cnccc3n2)cc1.NCCN1CCS(=O)(=O)CC1.
What is the InChIKey of 4-(4-chloro-1,6-naphthyridin-2-yl)-N,N-diethylbenzamide;2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine;4-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-1,6-naphthyridin-2-yl]-N,N-diethylbenzamide?
The InChIKey is BDXIAZHRBDRQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3S.C19H18ClN3O.C6H14N2O2S/c1-3-30(4-2)25(31)20-7-5-19(6-8-20)23-17-24(21-18-26-10-9-22(21)28-23)27-11-12-29-13-15-34(32,33)16-14-29;1-3-23(4-2)19(24)14-7-5-13(6-8-14)18-11-16(20)15-12-21-10-9-17(15)22-18;7-1-2-8-3-5-11(9,10)6-4-8/h5-10,17-18H,3-4,11-16H2,1-2H3,(H,27,28);5-12H,3-4H2,1-2H3;1-7H2.
What are the key properties of 4-(4-chloro-1,6-naphthyridin-2-yl)-N,N-diethylbenzamide;2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine;4-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-1,6-naphthyridin-2-yl]-N,N-diethylbenzamide?
4-(4-chloro-1,6-naphthyridin-2-yl)-N,N-diethylbenzamide;2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine;4-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-1,6-naphthyridin-2-yl]-N,N-diethylbenzamide has a molecular weight of 999.70 g/mol, XLogP of 6.03, 14 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-1,6-naphthyridin-2-yl)-N,N-diethylbenzamide;2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine;4-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-1,6-naphthyridin-2-yl]-N,N-diethylbenzamide is sourced from PubChem (CID 157318731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).