5-[6-[(2-aminoacetyl)amino]-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]pyridine-2-carboxamide;tert-butyl N-[[4-ethyl-5-[6-(ethylcarbamoyl)-3-pyridinyl]-3-(4-hydroxyphenyl)-2-pyridinyl]methyl]carbamate

C48H53N9O7 — CID 166555569

IUPAC5-[6-[(2-aminoacetyl)amino]-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]pyridine-2-carboxamide;tert-butyl N-[[4-ethyl-5-[6-(ethylcarbamoyl)-3-pyridinyl]-3-(4-hydroxyphenyl)-2-pyridinyl]methyl]carbamate
SMILESCCNC(=O)c1ccc(-c2cnc(CNC(=O)OC(C)(C)C)c(-c3ccc(O)cc3)c2CC)cn1.CCc1c(-c2ccc(C(N)=O)nc2)cnc(NC(=O)CN)c1-c1ccc(O)cc1
InChIInChI=1S/C27H32N4O4.C21H21N5O3/c1-6-20-21(18-10-13-22(29-14-18)25(33)28-7-2)15-30-23(16-31-26(34)35-27(3,4)5)24(20)17-8-11-19(32)12-9-17;1-2-15-16(13-5-8-17(20(23)29)24-10-13)11-25-21(26-18(28)9-22)19(15)12-3-6-14(27)7-4-12/h8-15,32H,6-7,16H2,1-5H3,(H,28,33)(H,31,34);3-8,10-11,27H,2,9,22H2,1H3,(H2,23,29)(H,25,26,28)
InChIKeySHHNMBCLQQJPDA-UHFFFAOYSA-N
MW868.01 g/mol
LogP6.93
Rot. Bonds13

About 5-[6-[(2-aminoacetyl)amino]-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]pyridine-2-carboxamide;tert-butyl N-[[4-ethyl-5-[6-(ethylcarbamoyl)-3-pyridinyl]-3-(4-hydroxyphenyl)-2-pyridinyl]methyl]carbamate

5-[6-[(2-aminoacetyl)amino]-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]pyridine-2-carboxamide;tert-butyl N-[[4-ethyl-5-[6-(ethylcarbamoyl)-3-pyridinyl]-3-(4-hydroxyphenyl)-2-pyridinyl]methyl]carbamate (PubChem CID 166555569) has the molecular formula C48H53N9O7 and a molecular weight of 868.01 g/mol. Its IUPAC name is 5-[6-[(2-aminoacetyl)amino]-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]pyridine-2-carboxamide;tert-butyl N-[[4-ethyl-5-[6-(ethylcarbamoyl)-3-pyridinyl]-3-(4-hydroxyphenyl)-2-pyridinyl]methyl]carbamate.

Molecular Properties

Compound Name5-[6-[(2-aminoacetyl)amino]-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]pyridine-2-carboxamide;tert-butyl N-[[4-ethyl-5-[6-(ethylcarbamoyl)-3-pyridinyl]-3-(4-hydroxyphenyl)-2-pyridinyl]methyl]carbamate
PubChem CID166555569
Molecular FormulaC48H53N9O7
Molecular Weight868.01 g/mol
Exact Mass867.41
IUPAC Name5-[6-[(2-aminoacetyl)amino]-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]pyridine-2-carboxamide;tert-butyl N-[[4-ethyl-5-[6-(ethylcarbamoyl)-3-pyridinyl]-3-(4-hydroxyphenyl)-2-pyridinyl]methyl]carbamate
SMILESCCNC(=O)c1ccc(-c2cnc(CNC(=O)OC(C)(C)C)c(-c3ccc(O)cc3)c2CC)cn1.CCc1c(-c2ccc(C(N)=O)nc2)cnc(NC(=O)CN)c1-c1ccc(O)cc1
InChIInChI=1S/C27H32N4O4.C21H21N5O3/c1-6-20-21(18-10-13-22(29-14-18)25(33)28-7-2)15-30-23(16-31-26(34)35-27(3,4)5)24(20)17-8-11-19(32)12-9-17;1-2-15-16(13-5-8-17(20(23)29)24-10-13)11-25-21(26-18(28)9-22)19(15)12-3-6-14(27)7-4-12/h8-15,32H,6-7,16H2,1-5H3,(H,28,33)(H,31,34);3-8,10-11,27H,2,9,22H2,1H3,(H2,23,29)(H,25,26,28)
InChIKeySHHNMBCLQQJPDA-UHFFFAOYSA-N
XLogP6.93
TPSA257.66 Ų
H-Bond Donors7
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms64
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500868.01
LogP ≤ 56.93
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1012

Analyze 5-[6-[(2-aminoacetyl)amino]-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]pyridine-2-carboxamide;tert-butyl N-[[4-ethyl-5-[6-(ethylcarbamoyl)-3-pyridinyl]-3-(4-hydroxyphenyl)-2-pyridinyl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[4-ethyl-3-(4-hydroxyphenyl)-5-[6-[3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]propanoylamino]-3-pyridinyl]-2-pyridinyl]carbamate
CID 166554991
tert-butyl N-[2-[3-[3-[[5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]pyridine-2-carbonyl]amino]propylamino]-3-oxopropoxy]ethyl]carbamate
CID 166555618
tert-butyl N-[[5-[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]indazol-5-yl]-4-ethyl-3-(4-hydroxyphenyl)-2-pyridinyl]methyl]carbamate;ethane
CID 166555847
tert-butyl N-[2-[4-[2-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]phenoxy]ethyl]carbamate
CID 166554986
tert-butyl N-[2-[2-[2-[4-[2-amino-4-ethyl-5-[6-(methylcarbamoyl)-3-pyridinyl]-3-pyridinyl]phenoxy]ethoxy]ethoxy]ethyl]carbamate
CID 166555712
tert-butyl 3-[[5-(2-formylphenyl)pyridine-2-carbonyl]amino]propanoate
CID 86674244
5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-[3-[3-[2-[2-[2-[[2-[2-(2-bromo-4,5-dihydroxyphenyl)ethylamino]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoylamino]propyl]pyridine-2-carboxamide
CID 166555065
N-ethyl-5-(4-methoxyphenyl)pyridine-2-carboxamide
CID 174990396
tert-butyl N-[(6-ethyl-3-pyridinyl)methyl]carbamate
CID 143422700
tert-butyl N-[(6-carbamoyl-2-pyridinyl)methyl]carbamate
CID 68863111
2-[2-(2-aminoethoxy)ethoxy]-N-[2-[5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]indazol-1-yl]ethyl]acetamide
CID 167271418
5-(3-aminoprop-1-ynyl)-N-ethylpyridine-2-carboxamide
CID 62958179

Frequently Asked Questions

What is the IUPAC name of 5-[6-[(2-aminoacetyl)amino]-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]pyridine-2-carboxamide;tert-butyl N-[[4-ethyl-5-[6-(ethylcarbamoyl)-3-pyridinyl]-3-(4-hydroxyphenyl)-2-pyridinyl]methyl]carbamate?
The IUPAC name of 5-[6-[(2-aminoacetyl)amino]-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]pyridine-2-carboxamide;tert-butyl N-[[4-ethyl-5-[6-(ethylcarbamoyl)-3-pyridinyl]-3-(4-hydroxyphenyl)-2-pyridinyl]methyl]carbamate (CID 166555569) is 5-[6-[(2-aminoacetyl)amino]-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]pyridine-2-carboxamide;tert-butyl N-[[4-ethyl-5-[6-(ethylcarbamoyl)-3-pyridinyl]-3-(4-hydroxyphenyl)-2-pyridinyl]methyl]carbamate.
What is the SMILES notation for 5-[6-[(2-aminoacetyl)amino]-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]pyridine-2-carboxamide;tert-butyl N-[[4-ethyl-5-[6-(ethylcarbamoyl)-3-pyridinyl]-3-(4-hydroxyphenyl)-2-pyridinyl]methyl]carbamate?
The canonical SMILES for 5-[6-[(2-aminoacetyl)amino]-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]pyridine-2-carboxamide;tert-butyl N-[[4-ethyl-5-[6-(ethylcarbamoyl)-3-pyridinyl]-3-(4-hydroxyphenyl)-2-pyridinyl]methyl]carbamate is CCNC(=O)c1ccc(-c2cnc(CNC(=O)OC(C)(C)C)c(-c3ccc(O)cc3)c2CC)cn1.CCc1c(-c2ccc(C(N)=O)nc2)cnc(NC(=O)CN)c1-c1ccc(O)cc1.
What is the InChIKey of 5-[6-[(2-aminoacetyl)amino]-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]pyridine-2-carboxamide;tert-butyl N-[[4-ethyl-5-[6-(ethylcarbamoyl)-3-pyridinyl]-3-(4-hydroxyphenyl)-2-pyridinyl]methyl]carbamate?
The InChIKey is SHHNMBCLQQJPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4.C21H21N5O3/c1-6-20-21(18-10-13-22(29-14-18)25(33)28-7-2)15-30-23(16-31-26(34)35-27(3,4)5)24(20)17-8-11-19(32)12-9-17;1-2-15-16(13-5-8-17(20(23)29)24-10-13)11-25-21(26-18(28)9-22)19(15)12-3-6-14(27)7-4-12/h8-15,32H,6-7,16H2,1-5H3,(H,28,33)(H,31,34);3-8,10-11,27H,2,9,22H2,1H3,(H2,23,29)(H,25,26,28).
What are the key properties of 5-[6-[(2-aminoacetyl)amino]-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]pyridine-2-carboxamide;tert-butyl N-[[4-ethyl-5-[6-(ethylcarbamoyl)-3-pyridinyl]-3-(4-hydroxyphenyl)-2-pyridinyl]methyl]carbamate?
5-[6-[(2-aminoacetyl)amino]-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]pyridine-2-carboxamide;tert-butyl N-[[4-ethyl-5-[6-(ethylcarbamoyl)-3-pyridinyl]-3-(4-hydroxyphenyl)-2-pyridinyl]methyl]carbamate has a molecular weight of 868.01 g/mol, XLogP of 6.93, 13 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(2-aminoacetyl)amino]-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]pyridine-2-carboxamide;tert-butyl N-[[4-ethyl-5-[6-(ethylcarbamoyl)-3-pyridinyl]-3-(4-hydroxyphenyl)-2-pyridinyl]methyl]carbamate is sourced from PubChem (CID 166555569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).