methyl 6-[2-[dipyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]ethyl]pyridine-3-carboxylate

C26H25N5O2 — CID 142098699

IUPACmethyl 6-[2-[dipyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]ethyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CCN(Cc2ccccn2)C(c2ccccn2)c2ccccn2)nc1
InChIInChI=1S/C26H25N5O2/c1-33-26(32)20-11-12-21(30-18-20)13-17-31(19-22-8-2-5-14-27-22)25(23-9-3-6-15-28-23)24-10-4-7-16-29-24/h2-12,14-16,18,25H,13,17,19H2,1H3
InChIKeyDRJCGAFSWKCGPX-UHFFFAOYSA-N
MW439.52 g/mol
LogP3.89
Rot. Bonds9

About methyl 6-[2-[dipyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]ethyl]pyridine-3-carboxylate

methyl 6-[2-[dipyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]ethyl]pyridine-3-carboxylate (PubChem CID 142098699) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is methyl 6-[2-[dipyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]ethyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-[dipyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]ethyl]pyridine-3-carboxylate
PubChem CID142098699
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC Namemethyl 6-[2-[dipyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]ethyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CCN(Cc2ccccn2)C(c2ccccn2)c2ccccn2)nc1
InChIInChI=1S/C26H25N5O2/c1-33-26(32)20-11-12-21(30-18-20)13-17-31(19-22-8-2-5-14-27-22)25(23-9-3-6-15-28-23)24-10-4-7-16-29-24/h2-12,14-16,18,25H,13,17,19H2,1H3
InChIKeyDRJCGAFSWKCGPX-UHFFFAOYSA-N
XLogP3.89
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 6-[2-[dipyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]ethyl]pyridine-3-carboxylate with MolForge

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Related Compounds

Niceritrol
CID 4476
(2,2'-Bipyridine)-5,5'-dicarboxylic acid
CID 192744
Hepronicate
CID 3588
(2,2'-Bipyridine)-5-carboxylic acid
CID 192752
4,4'-Dimethyl [2,2'-bipyridine]-4,4'-dicarboxylate
CID 326419
Diethyl 2,6-dimethyl-2',4-bipyridine-3,5-dicarboxylate
CID 1070616
Diethyl [2,2'-bipyridine]-4,4'-dicarboxylate
CID 12088573
Methyl 6-[3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]pyridine-3-carboxylate
CID 24791265
Ethyl 4-[4-(2-pyridin-2-ylquinolin-4-yl)piperazin-1-yl]benzoate
CID 73347280
Ethyl 4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-pyridin-4-yl-1,5-naphthyridine-3-carboxylate
CID 156021830
2,2':6',2''-Terpyridine-4'-carboxylic Acid
CID 2762749
Methyl 2,2':6',2''-Terpyridine-4'-carboxylate
CID 10589647

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-[dipyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]ethyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[2-[dipyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]ethyl]pyridine-3-carboxylate (CID 142098699) is methyl 6-[2-[dipyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]ethyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[2-[dipyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]ethyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[2-[dipyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]ethyl]pyridine-3-carboxylate is COC(=O)c1ccc(CCN(Cc2ccccn2)C(c2ccccn2)c2ccccn2)nc1.
What is the InChIKey of methyl 6-[2-[dipyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]ethyl]pyridine-3-carboxylate?
The InChIKey is DRJCGAFSWKCGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c1-33-26(32)20-11-12-21(30-18-20)13-17-31(19-22-8-2-5-14-27-22)25(23-9-3-6-15-28-23)24-10-4-7-16-29-24/h2-12,14-16,18,25H,13,17,19H2,1H3.
What are the key properties of methyl 6-[2-[dipyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]ethyl]pyridine-3-carboxylate?
methyl 6-[2-[dipyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]ethyl]pyridine-3-carboxylate has a molecular weight of 439.52 g/mol, XLogP of 3.89, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-[dipyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]ethyl]pyridine-3-carboxylate is sourced from PubChem (CID 142098699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).