tert-butyl 4-[(6-chloro-3-formyl-1,5-naphthyridin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-[[6-chloro-3-(hydroxymethyl)-1,5-naphthyridin-4-yl]amino]piperidine-1-carboxylate;dioxomanganese

C38H48Cl2MnN8O8 — CID 157072585

IUPACtert-butyl 4-[(6-chloro-3-formyl-1,5-naphthyridin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-[[6-chloro-3-(hydroxymethyl)-1,5-naphthyridin-4-yl]amino]piperidine-1-carboxylate;dioxomanganese
SMILESCC(C)(C)OC(=O)N1CCC(Nc2c(C=O)cnc3ccc(Cl)nc23)CC1.CC(C)(C)OC(=O)N1CCC(Nc2c(CO)cnc3ccc(Cl)nc23)CC1.O=[Mn]=O
InChIInChI=1S/C19H25ClN4O3.C19H23ClN4O3.Mn.2O/c2*1-19(2,3)27-18(26)24-8-6-13(7-9-24)22-16-12(11-25)10-21-14-4-5-15(20)23-17(14)16;;;/h4-5,10,13,25H,6-9,11H2,1-3H3,(H,21,22);4-5,10-11,13H,6-9H2,1-3H3,(H,21,22);;;
InChIKeyAQSCUUDXLBBGBV-UHFFFAOYSA-N
MW870.69 g/mol
LogP7.25
Rot. Bonds6

About tert-butyl 4-[(6-chloro-3-formyl-1,5-naphthyridin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-[[6-chloro-3-(hydroxymethyl)-1,5-naphthyridin-4-yl]amino]piperidine-1-carboxylate;dioxomanganese

tert-butyl 4-[(6-chloro-3-formyl-1,5-naphthyridin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-[[6-chloro-3-(hydroxymethyl)-1,5-naphthyridin-4-yl]amino]piperidine-1-carboxylate;dioxomanganese (PubChem CID 157072585) has the molecular formula C38H48Cl2MnN8O8 and a molecular weight of 870.69 g/mol. Its IUPAC name is tert-butyl 4-[(6-chloro-3-formyl-1,5-naphthyridin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-[[6-chloro-3-(hydroxymethyl)-1,5-naphthyridin-4-yl]amino]piperidine-1-carboxylate;dioxomanganese.

Molecular Properties

Compound Nametert-butyl 4-[(6-chloro-3-formyl-1,5-naphthyridin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-[[6-chloro-3-(hydroxymethyl)-1,5-naphthyridin-4-yl]amino]piperidine-1-carboxylate;dioxomanganese
PubChem CID157072585
Molecular FormulaC38H48Cl2MnN8O8
Molecular Weight870.69 g/mol
Exact Mass869.24
IUPAC Nametert-butyl 4-[(6-chloro-3-formyl-1,5-naphthyridin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-[[6-chloro-3-(hydroxymethyl)-1,5-naphthyridin-4-yl]amino]piperidine-1-carboxylate;dioxomanganese
SMILESCC(C)(C)OC(=O)N1CCC(Nc2c(C=O)cnc3ccc(Cl)nc23)CC1.CC(C)(C)OC(=O)N1CCC(Nc2c(CO)cnc3ccc(Cl)nc23)CC1.O=[Mn]=O
InChIInChI=1S/C19H25ClN4O3.C19H23ClN4O3.Mn.2O/c2*1-19(2,3)27-18(26)24-8-6-13(7-9-24)22-16-12(11-25)10-21-14-4-5-15(20)23-17(14)16;;;/h4-5,10,13,25H,6-9,11H2,1-3H3,(H,21,22);4-5,10-11,13H,6-9H2,1-3H3,(H,21,22);;;
InChIKeyAQSCUUDXLBBGBV-UHFFFAOYSA-N
XLogP7.25
TPSA206.14 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500870.69
LogP ≤ 57.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-methyl-4-[3-(trifluoromethyl)anilino]-1,5-naphthyridine-3-carboxamide;ethyl 6-chloro-4-[3-(trifluoromethyl)anilino]-1,5-naphthyridine-3-carboxylate
CID 162235597
6-(6-Chloro-3-pyridinyl)-4-[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]-3-(trifluoromethyl)anilino]-1,7-naphthyridine-3-carboxylic acid
CID 174694065
6-Chloro-4-[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-(trifluoromethyl)anilino]-1,5-naphthyridine-3-carboxylic acid
CID 153916223
2-[1-[(2-Methylpropan-2-yl)oxycarbonylamino]ethyl]-3-pyridin-2-yl-1,5-naphthyridine-4-carboxylic acid
CID 58318619
6-Chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylic acid
CID 58379513
Ethyl 6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylate
CID 58379528
4-({1-[(Benzyloxy)carbonyl]piperidin-4-yl}amino)-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylic acid
CID 58379645
6-Chloro-4-[(4-hydroxycyclohexyl)amino]-1,5-naphthyridine-3-carboxylic acid
CID 58379650
Methyl 4-({1-[(benzyloxy)carbonyl]piperidin-4-yl}amino)-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate
CID 67345240
Piperazin-1-ylmethyl 3-chloro-10-(2-cyclopropylethylamino)-4-methylpyrido[3,2-b][1,5]naphthyridine-6-carboxylate
CID 72704003
4-(1-(Tert-butoxycarbonyl)piperidin-4-ylamino)-6-chloro-1,5-naphthyridine-3-carboxylic acid
CID 86656329
Ethyl 4-(1-(tert-butoxycarbonyl)piperidin-4-ylamino)-6-chloro-1,5-naphthyridine-3-carboxylate
CID 86656330

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(6-chloro-3-formyl-1,5-naphthyridin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-[[6-chloro-3-(hydroxymethyl)-1,5-naphthyridin-4-yl]amino]piperidine-1-carboxylate;dioxomanganese?
The IUPAC name of tert-butyl 4-[(6-chloro-3-formyl-1,5-naphthyridin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-[[6-chloro-3-(hydroxymethyl)-1,5-naphthyridin-4-yl]amino]piperidine-1-carboxylate;dioxomanganese (CID 157072585) is tert-butyl 4-[(6-chloro-3-formyl-1,5-naphthyridin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-[[6-chloro-3-(hydroxymethyl)-1,5-naphthyridin-4-yl]amino]piperidine-1-carboxylate;dioxomanganese.
What is the SMILES notation for tert-butyl 4-[(6-chloro-3-formyl-1,5-naphthyridin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-[[6-chloro-3-(hydroxymethyl)-1,5-naphthyridin-4-yl]amino]piperidine-1-carboxylate;dioxomanganese?
The canonical SMILES for tert-butyl 4-[(6-chloro-3-formyl-1,5-naphthyridin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-[[6-chloro-3-(hydroxymethyl)-1,5-naphthyridin-4-yl]amino]piperidine-1-carboxylate;dioxomanganese is CC(C)(C)OC(=O)N1CCC(Nc2c(C=O)cnc3ccc(Cl)nc23)CC1.CC(C)(C)OC(=O)N1CCC(Nc2c(CO)cnc3ccc(Cl)nc23)CC1.O=[Mn]=O.
What is the InChIKey of tert-butyl 4-[(6-chloro-3-formyl-1,5-naphthyridin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-[[6-chloro-3-(hydroxymethyl)-1,5-naphthyridin-4-yl]amino]piperidine-1-carboxylate;dioxomanganese?
The InChIKey is AQSCUUDXLBBGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O3.C19H23ClN4O3.Mn.2O/c2*1-19(2,3)27-18(26)24-8-6-13(7-9-24)22-16-12(11-25)10-21-14-4-5-15(20)23-17(14)16;;;/h4-5,10,13,25H,6-9,11H2,1-3H3,(H,21,22);4-5,10-11,13H,6-9H2,1-3H3,(H,21,22);;;.
What are the key properties of tert-butyl 4-[(6-chloro-3-formyl-1,5-naphthyridin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-[[6-chloro-3-(hydroxymethyl)-1,5-naphthyridin-4-yl]amino]piperidine-1-carboxylate;dioxomanganese?
tert-butyl 4-[(6-chloro-3-formyl-1,5-naphthyridin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-[[6-chloro-3-(hydroxymethyl)-1,5-naphthyridin-4-yl]amino]piperidine-1-carboxylate;dioxomanganese has a molecular weight of 870.69 g/mol, XLogP of 7.25, 6 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(6-chloro-3-formyl-1,5-naphthyridin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-[[6-chloro-3-(hydroxymethyl)-1,5-naphthyridin-4-yl]amino]piperidine-1-carboxylate;dioxomanganese is sourced from PubChem (CID 157072585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).