tris(6-(ethylcarbamoyl)-4-(4-methoxyphenyl)pyridine-2-carboxylic acid);terbium

C48H48N6O12Tb — CID 139213326

IUPACtris(6-(ethylcarbamoyl)-4-(4-methoxyphenyl)pyridine-2-carboxylic acid);terbium
SMILESCCNC(=O)c1cc(-c2ccc(OC)cc2)cc(C(=O)O)n1.CCNC(=O)c1cc(-c2ccc(OC)cc2)cc(C(=O)O)n1.CCNC(=O)c1cc(-c2ccc(OC)cc2)cc(C(=O)O)n1.[Tb]
InChIInChI=1S/3C16H16N2O4.Tb/c3*1-3-17-15(19)13-8-11(9-14(18-13)16(20)21)10-4-6-12(22-2)7-5-10;/h3*4-9H,3H2,1-2H3,(H,17,19)(H,20,21);
InChIKeyWHCICXADDDUNQZ-UHFFFAOYSA-N
MW1059.87 g/mol
LogP6.62
Rot. Bonds15

About tris(6-(ethylcarbamoyl)-4-(4-methoxyphenyl)pyridine-2-carboxylic acid);terbium

tris(6-(ethylcarbamoyl)-4-(4-methoxyphenyl)pyridine-2-carboxylic acid);terbium (PubChem CID 139213326) has the molecular formula C48H48N6O12Tb and a molecular weight of 1059.87 g/mol. Its IUPAC name is tris(6-(ethylcarbamoyl)-4-(4-methoxyphenyl)pyridine-2-carboxylic acid);terbium.

Molecular Properties

Compound Nametris(6-(ethylcarbamoyl)-4-(4-methoxyphenyl)pyridine-2-carboxylic acid);terbium
PubChem CID139213326
Molecular FormulaC48H48N6O12Tb
Molecular Weight1059.87 g/mol
Exact Mass1059.26
IUPAC Nametris(6-(ethylcarbamoyl)-4-(4-methoxyphenyl)pyridine-2-carboxylic acid);terbium
SMILESCCNC(=O)c1cc(-c2ccc(OC)cc2)cc(C(=O)O)n1.CCNC(=O)c1cc(-c2ccc(OC)cc2)cc(C(=O)O)n1.CCNC(=O)c1cc(-c2ccc(OC)cc2)cc(C(=O)O)n1.[Tb]
InChIInChI=1S/3C16H16N2O4.Tb/c3*1-3-17-15(19)13-8-11(9-14(18-13)16(20)21)10-4-6-12(22-2)7-5-10;/h3*4-9H,3H2,1-2H3,(H,17,19)(H,20,21);
InChIKeyWHCICXADDDUNQZ-UHFFFAOYSA-N
XLogP6.62
TPSA265.56 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms67
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001059.87
LogP ≤ 56.62
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

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Related Compounds

(S)-2-[(1-Benzyl-5-oxo-pyrrolidine-2-carbonyl)-amino]-3-(4-{[3-(4-methoxy-phenyl)-pyridine-2-carbonyl]-amino}-phenyl)-propionic acid
CID 44376358
(S)-2-[(Acridine-9-carbonyl)-amino]-3-(4-pentyloxy-phenyl)-propionic acid
CID 44376672
6-[[2-[(6-Carboxy-2-pyridinyl)methyl-[(4-methoxyphenyl)methyl]amino]ethyl-[(4-methoxyphenyl)methyl]amino]methyl]pyridine-2-carboxylic acid
CID 155527172
N-[(2S)-1-[[(2S)-1-[[(3S)-1-anilino-5-methyl-1,2-dioxohexan-3-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-6-phenylpyridine-2-carboxamide
CID 162677072
N~2~,N~6~-bis[2-(4-methoxyphenyl)ethyl]-2,6-pyridinedicarboxamide
CID 1222432
(3S)-3-[[6-(2-fluorophenyl)pyridine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoic acid
CID 60142616
(3S)-3-[(5-methoxy-6-phenylpyridine-2-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 60143141
6-[(4-Methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 43558323
(3S)-3-[[6-(2-methoxyphenyl)pyridine-2-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 90092783
(3S)-3-[[6-(4-methoxyphenyl)pyridine-2-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 90092974
(3S)-3-[[6-(3-methoxyphenyl)pyridine-2-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 90093441
(3S)-3-[[5-methoxy-6-(3-phenylphenyl)pyridine-2-carbonyl]amino]-3-(4-methylphenyl)propanoic acid
CID 92044144

Frequently Asked Questions

What is the IUPAC name of tris(6-(ethylcarbamoyl)-4-(4-methoxyphenyl)pyridine-2-carboxylic acid);terbium?
The IUPAC name of tris(6-(ethylcarbamoyl)-4-(4-methoxyphenyl)pyridine-2-carboxylic acid);terbium (CID 139213326) is tris(6-(ethylcarbamoyl)-4-(4-methoxyphenyl)pyridine-2-carboxylic acid);terbium.
What is the SMILES notation for tris(6-(ethylcarbamoyl)-4-(4-methoxyphenyl)pyridine-2-carboxylic acid);terbium?
The canonical SMILES for tris(6-(ethylcarbamoyl)-4-(4-methoxyphenyl)pyridine-2-carboxylic acid);terbium is CCNC(=O)c1cc(-c2ccc(OC)cc2)cc(C(=O)O)n1.CCNC(=O)c1cc(-c2ccc(OC)cc2)cc(C(=O)O)n1.CCNC(=O)c1cc(-c2ccc(OC)cc2)cc(C(=O)O)n1.[Tb].
What is the InChIKey of tris(6-(ethylcarbamoyl)-4-(4-methoxyphenyl)pyridine-2-carboxylic acid);terbium?
The InChIKey is WHCICXADDDUNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C16H16N2O4.Tb/c3*1-3-17-15(19)13-8-11(9-14(18-13)16(20)21)10-4-6-12(22-2)7-5-10;/h3*4-9H,3H2,1-2H3,(H,17,19)(H,20,21);.
What are the key properties of tris(6-(ethylcarbamoyl)-4-(4-methoxyphenyl)pyridine-2-carboxylic acid);terbium?
tris(6-(ethylcarbamoyl)-4-(4-methoxyphenyl)pyridine-2-carboxylic acid);terbium has a molecular weight of 1059.87 g/mol, XLogP of 6.62, 15 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tris(6-(ethylcarbamoyl)-4-(4-methoxyphenyl)pyridine-2-carboxylic acid);terbium is sourced from PubChem (CID 139213326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).