2-N,2-N,5-N,5-N-tetrakis(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-2,5-dicarboxamide

C47H47N3O2 — CID 54416285

IUPAC2-N,2-N,5-N,5-N-tetrakis(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-2,5-dicarboxamide
SMILESO=C(c1ccc(C(=O)N(C2CCCc3ccccc32)C2CCCc3ccccc32)nc1)N(C1CCCc2ccccc21)C1CCCc2ccccc21
InChIInChI=1S/C47H47N3O2/c51-46(49(42-25-9-17-32-13-1-5-21-37(32)42)43-26-10-18-33-14-2-6-22-38(33)43)36-29-30-41(48-31-36)47(52)50(44-27-11-19-34-15-3-7-23-39(34)44)45-28-12-20-35-16-4-8-24-40(35)45/h1-8,13-16,21-24,29-31,42-45H,9-12,17-20,25-28H2
InChIKeyVXQZTZXYXHVZAO-UHFFFAOYSA-N
MW685.91 g/mol
LogP10.28
Rot. Bonds6

About 2-N,2-N,5-N,5-N-tetrakis(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-2,5-dicarboxamide

2-N,2-N,5-N,5-N-tetrakis(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-2,5-dicarboxamide (PubChem CID 54416285) has the molecular formula C47H47N3O2 and a molecular weight of 685.91 g/mol. Its IUPAC name is 2-N,2-N,5-N,5-N-tetrakis(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,2-N,5-N,5-N-tetrakis(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-2,5-dicarboxamide
PubChem CID54416285
Molecular FormulaC47H47N3O2
Molecular Weight685.91 g/mol
Exact Mass685.37
IUPAC Name2-N,2-N,5-N,5-N-tetrakis(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-2,5-dicarboxamide
SMILESO=C(c1ccc(C(=O)N(C2CCCc3ccccc32)C2CCCc3ccccc32)nc1)N(C1CCCc2ccccc21)C1CCCc2ccccc21
InChIInChI=1S/C47H47N3O2/c51-46(49(42-25-9-17-32-13-1-5-21-37(32)42)43-26-10-18-33-14-2-6-22-38(33)43)36-29-30-41(48-31-36)47(52)50(44-27-11-19-34-15-3-7-23-39(34)44)45-28-12-20-35-16-4-8-24-40(35)45/h1-8,13-16,21-24,29-31,42-45H,9-12,17-20,25-28H2
InChIKeyVXQZTZXYXHVZAO-UHFFFAOYSA-N
XLogP10.28
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.91
LogP ≤ 510.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,6-dimethyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-3-carboxamide
CID 31121176
4-amino-N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide;hydrochloride
CID 119728161
5-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazine-2-carboxamide
CID 107371805
N-cyclopropyl-4-pyrazol-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 55592536
N,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42884040
N-cyclopropyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 95156658
N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide
CID 42916496
1-cyclopropyl-3-(pyridin-2-ylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 126789644
N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide
CID 75807762
2-[carboxymethyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026801
2-bromo-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide
CID 103754184
1,2,3,4-tetrahydronaphthalen-1-yl 6-bromopyridine-3-carboxylate
CID 66462388

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,5-N,5-N-tetrakis(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-2,5-dicarboxamide?
The IUPAC name of 2-N,2-N,5-N,5-N-tetrakis(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-2,5-dicarboxamide (CID 54416285) is 2-N,2-N,5-N,5-N-tetrakis(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-2,5-dicarboxamide.
What is the SMILES notation for 2-N,2-N,5-N,5-N-tetrakis(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-2,5-dicarboxamide?
The canonical SMILES for 2-N,2-N,5-N,5-N-tetrakis(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-2,5-dicarboxamide is O=C(c1ccc(C(=O)N(C2CCCc3ccccc32)C2CCCc3ccccc32)nc1)N(C1CCCc2ccccc21)C1CCCc2ccccc21.
What is the InChIKey of 2-N,2-N,5-N,5-N-tetrakis(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-2,5-dicarboxamide?
The InChIKey is VXQZTZXYXHVZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H47N3O2/c51-46(49(42-25-9-17-32-13-1-5-21-37(32)42)43-26-10-18-33-14-2-6-22-38(33)43)36-29-30-41(48-31-36)47(52)50(44-27-11-19-34-15-3-7-23-39(34)44)45-28-12-20-35-16-4-8-24-40(35)45/h1-8,13-16,21-24,29-31,42-45H,9-12,17-20,25-28H2.
What are the key properties of 2-N,2-N,5-N,5-N-tetrakis(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-2,5-dicarboxamide?
2-N,2-N,5-N,5-N-tetrakis(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-2,5-dicarboxamide has a molecular weight of 685.91 g/mol, XLogP of 10.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,5-N,5-N-tetrakis(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-2,5-dicarboxamide is sourced from PubChem (CID 54416285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).