2-N,6-N-bis[(1R)-1-(6-hexoxynaphthalen-2-yl)ethyl]pyridine-2,6-dicarboxamide

C43H51N3O4 — CID 146672049

IUPAC2-N,6-N-bis[(1R)-1-(6-hexoxynaphthalen-2-yl)ethyl]pyridine-2,6-dicarboxamide
SMILESCCCCCCOc1ccc2cc([C@@H](C)NC(=O)c3cccc(C(=O)N[C@H](C)c4ccc5cc(OCCCCCC)ccc5c4)n3)ccc2c1
InChIInChI=1S/C43H51N3O4/c1-5-7-9-11-24-49-38-22-20-34-26-32(16-18-36(34)28-38)30(3)44-42(47)40-14-13-15-41(46-40)43(48)45-31(4)33-17-19-37-29-39(23-21-35(37)27-33)50-25-12-10-8-6-2/h13-23,26-31H,5-12,24-25H2,1-4H3,(H,44,47)(H,45,48)/t30-,31-/m1/s1
InChIKeyQWCHUNVQEUOWGB-FIRIVFDPSA-N
MW673.90 g/mol
LogP10.29
Rot. Bonds18

About 2-N,6-N-bis[(1R)-1-(6-hexoxynaphthalen-2-yl)ethyl]pyridine-2,6-dicarboxamide

2-N,6-N-bis[(1R)-1-(6-hexoxynaphthalen-2-yl)ethyl]pyridine-2,6-dicarboxamide (PubChem CID 146672049) has the molecular formula C43H51N3O4 and a molecular weight of 673.90 g/mol. Its IUPAC name is 2-N,6-N-bis[(1R)-1-(6-hexoxynaphthalen-2-yl)ethyl]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis[(1R)-1-(6-hexoxynaphthalen-2-yl)ethyl]pyridine-2,6-dicarboxamide
PubChem CID146672049
Molecular FormulaC43H51N3O4
Molecular Weight673.90 g/mol
Exact Mass673.39
IUPAC Name2-N,6-N-bis[(1R)-1-(6-hexoxynaphthalen-2-yl)ethyl]pyridine-2,6-dicarboxamide
SMILESCCCCCCOc1ccc2cc([C@@H](C)NC(=O)c3cccc(C(=O)N[C@H](C)c4ccc5cc(OCCCCCC)ccc5c4)n3)ccc2c1
InChIInChI=1S/C43H51N3O4/c1-5-7-9-11-24-49-38-22-20-34-26-32(16-18-36(34)28-38)30(3)44-42(47)40-14-13-15-41(46-40)43(48)45-31(4)33-17-19-37-29-39(23-21-35(37)27-33)50-25-12-10-8-6-2/h13-23,26-31H,5-12,24-25H2,1-4H3,(H,44,47)(H,45,48)/t30-,31-/m1/s1
InChIKeyQWCHUNVQEUOWGB-FIRIVFDPSA-N
XLogP10.29
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.90
LogP ≤ 510.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-N,6-N-bis[(1R)-1-(6-hexoxynaphthalen-2-yl)ethyl]pyridine-2,6-dicarboxamide with MolForge

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Related Compounds

6-formyl-N-[(1R)-1-[6-[4-(6-methylnaphthalen-2-yl)oxybut-2-enoxy]naphthalen-2-yl]ethyl]pyridine-2-carboxamide
CID 135034787
5-hexoxy-3-N-[(1R)-1-naphthalen-2-ylethyl]-1-N-pyridin-2-ylbenzene-1,3-dicarboxamide
CID 11134808
N-[(1R)-1-naphthalen-2-ylethyl]pyridine-2-carboxamide
CID 26084577
6-O-(4-heptoxyphenyl) 2-O-methyl pyridine-2,6-dicarboxylate
CID 3375649
2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide
CID 139136791
N-[1-[6-(3-ethoxyphenoxy)naphthalen-2-yl]ethyl]acetamide
CID 68759728
N-[1-(4-methoxyphenyl)ethyl]-6-methylpyridine-2-carboxamide
CID 110462509
N-(1-naphthalen-2-ylethyl)hexanamide
CID 112762295
2-N,6-N-bis[1-(4-fluorophenyl)ethyl]pyridine-2,6-dicarboxamide
CID 46430353
6-octadecoxynaphthalene-2-carboxylic acid
CID 71245003
[6-[(2S)-1-octoxy-1-oxopropan-2-yl]naphthalen-2-yl] 4-decoxybenzoate
CID 177486550
[6-[(2S)-1-butoxy-1-oxopropan-2-yl]naphthalen-2-yl] 4-dodecoxybenzoate
CID 177477482

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis[(1R)-1-(6-hexoxynaphthalen-2-yl)ethyl]pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis[(1R)-1-(6-hexoxynaphthalen-2-yl)ethyl]pyridine-2,6-dicarboxamide (CID 146672049) is 2-N,6-N-bis[(1R)-1-(6-hexoxynaphthalen-2-yl)ethyl]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis[(1R)-1-(6-hexoxynaphthalen-2-yl)ethyl]pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis[(1R)-1-(6-hexoxynaphthalen-2-yl)ethyl]pyridine-2,6-dicarboxamide is CCCCCCOc1ccc2cc([C@@H](C)NC(=O)c3cccc(C(=O)N[C@H](C)c4ccc5cc(OCCCCCC)ccc5c4)n3)ccc2c1.
What is the InChIKey of 2-N,6-N-bis[(1R)-1-(6-hexoxynaphthalen-2-yl)ethyl]pyridine-2,6-dicarboxamide?
The InChIKey is QWCHUNVQEUOWGB-FIRIVFDPSA-N. The full InChI is InChI=1S/C43H51N3O4/c1-5-7-9-11-24-49-38-22-20-34-26-32(16-18-36(34)28-38)30(3)44-42(47)40-14-13-15-41(46-40)43(48)45-31(4)33-17-19-37-29-39(23-21-35(37)27-33)50-25-12-10-8-6-2/h13-23,26-31H,5-12,24-25H2,1-4H3,(H,44,47)(H,45,48)/t30-,31-/m1/s1.
What are the key properties of 2-N,6-N-bis[(1R)-1-(6-hexoxynaphthalen-2-yl)ethyl]pyridine-2,6-dicarboxamide?
2-N,6-N-bis[(1R)-1-(6-hexoxynaphthalen-2-yl)ethyl]pyridine-2,6-dicarboxamide has a molecular weight of 673.90 g/mol, XLogP of 10.29, 18 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis[(1R)-1-(6-hexoxynaphthalen-2-yl)ethyl]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 146672049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).