methyl 6-[[2-[(6-methoxycarbonyl-2-pyridinyl)methyl-[(3-methoxyphenyl)methyl]amino]ethyl-[(3-methoxyphenyl)methyl]amino]methyl]pyridine-2-carboxylate

C34H38N4O6 — CID 58567046

IUPACmethyl 6-[[2-[(6-methoxycarbonyl-2-pyridinyl)methyl-[(3-methoxyphenyl)methyl]amino]ethyl-[(3-methoxyphenyl)methyl]amino]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(CN(CCN(Cc2cccc(OC)c2)Cc2cccc(C(=O)OC)n2)Cc2cccc(OC)c2)n1
InChIInChI=1S/C34H38N4O6/c1-41-29-13-5-9-25(19-29)21-37(23-27-11-7-15-31(35-27)33(39)43-3)17-18-38(22-26-10-6-14-30(20-26)42-2)24-28-12-8-16-32(36-28)34(40)44-4/h5-16,19-20H,17-18,21-24H2,1-4H3
InChIKeyDTVJMYWSPYSMSY-UHFFFAOYSA-N
MW598.70 g/mol
LogP4.77
Rot. Bonds15

About methyl 6-[[2-[(6-methoxycarbonyl-2-pyridinyl)methyl-[(3-methoxyphenyl)methyl]amino]ethyl-[(3-methoxyphenyl)methyl]amino]methyl]pyridine-2-carboxylate

methyl 6-[[2-[(6-methoxycarbonyl-2-pyridinyl)methyl-[(3-methoxyphenyl)methyl]amino]ethyl-[(3-methoxyphenyl)methyl]amino]methyl]pyridine-2-carboxylate (PubChem CID 58567046) has the molecular formula C34H38N4O6 and a molecular weight of 598.70 g/mol. Its IUPAC name is methyl 6-[[2-[(6-methoxycarbonyl-2-pyridinyl)methyl-[(3-methoxyphenyl)methyl]amino]ethyl-[(3-methoxyphenyl)methyl]amino]methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[2-[(6-methoxycarbonyl-2-pyridinyl)methyl-[(3-methoxyphenyl)methyl]amino]ethyl-[(3-methoxyphenyl)methyl]amino]methyl]pyridine-2-carboxylate
PubChem CID58567046
Molecular FormulaC34H38N4O6
Molecular Weight598.70 g/mol
Exact Mass598.28
IUPAC Namemethyl 6-[[2-[(6-methoxycarbonyl-2-pyridinyl)methyl-[(3-methoxyphenyl)methyl]amino]ethyl-[(3-methoxyphenyl)methyl]amino]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(CN(CCN(Cc2cccc(OC)c2)Cc2cccc(C(=O)OC)n2)Cc2cccc(OC)c2)n1
InChIInChI=1S/C34H38N4O6/c1-41-29-13-5-9-25(19-29)21-37(23-27-11-7-15-31(35-27)33(39)43-3)17-18-38(22-26-10-6-14-30(20-26)42-2)24-28-12-8-16-32(36-28)34(40)44-4/h5-16,19-20H,17-18,21-24H2,1-4H3
InChIKeyDTVJMYWSPYSMSY-UHFFFAOYSA-N
XLogP4.77
TPSA103.32 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500598.70
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze methyl 6-[[2-[(6-methoxycarbonyl-2-pyridinyl)methyl-[(3-methoxyphenyl)methyl]amino]ethyl-[(3-methoxyphenyl)methyl]amino]methyl]pyridine-2-carboxylate with MolForge

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Related Compounds

Piperazine, 4-benzoyl-1-[1,2-dioxo-2-(6-methoxy-2-quinolinyl)ethyl]-2-methyl-
CID 5280289
(6S)-6-benzyl-1-[(3-methoxyphenyl)methyl]-4-(6-methoxyquinoline-2-carbonyl)piperazin-2-one
CID 122600842
6-[[2-[(6-Carboxy-2-pyridinyl)methyl-[(4-methoxyphenyl)methyl]amino]ethyl-[(4-methoxyphenyl)methyl]amino]methyl]pyridine-2-carboxylic acid
CID 155527172
(6S)-6-benzyl-1-[(3-methoxyphenyl)methyl]-4-(5-methylpyridine-2-carbonyl)piperazin-2-one
CID 122600844
Pyridine-2,6-dicarboxylic acid di-p-tolyl ester
CID 864874
(3-Methoxyphenyl){1-[(6-methyl-2-pyridinyl)methyl]-3-piperidinyl}methanone
CID 16191869
N-[(3-methoxyphenyl)methyl]-6-[4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 44527232
N-[(3-methoxyphenyl)methyl]-6-[3-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 44527234
Ethyl 6-methoxy-4-(phenylselanyl)quinoline-2-carboxylate
CID 139178030
Ethyl 6-methoxy-4-(2-methylphenyl)selanylquinoline-2-carboxylate
CID 156010200
Ethyl 6-methoxy-4-phenyltellanylquinoline-2-carboxylate
CID 156014170
Ethyl 4-benzylselanyl-6-methoxyquinoline-2-carboxylate
CID 156016152

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[2-[(6-methoxycarbonyl-2-pyridinyl)methyl-[(3-methoxyphenyl)methyl]amino]ethyl-[(3-methoxyphenyl)methyl]amino]methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[[2-[(6-methoxycarbonyl-2-pyridinyl)methyl-[(3-methoxyphenyl)methyl]amino]ethyl-[(3-methoxyphenyl)methyl]amino]methyl]pyridine-2-carboxylate (CID 58567046) is methyl 6-[[2-[(6-methoxycarbonyl-2-pyridinyl)methyl-[(3-methoxyphenyl)methyl]amino]ethyl-[(3-methoxyphenyl)methyl]amino]methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[[2-[(6-methoxycarbonyl-2-pyridinyl)methyl-[(3-methoxyphenyl)methyl]amino]ethyl-[(3-methoxyphenyl)methyl]amino]methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[[2-[(6-methoxycarbonyl-2-pyridinyl)methyl-[(3-methoxyphenyl)methyl]amino]ethyl-[(3-methoxyphenyl)methyl]amino]methyl]pyridine-2-carboxylate is COC(=O)c1cccc(CN(CCN(Cc2cccc(OC)c2)Cc2cccc(C(=O)OC)n2)Cc2cccc(OC)c2)n1.
What is the InChIKey of methyl 6-[[2-[(6-methoxycarbonyl-2-pyridinyl)methyl-[(3-methoxyphenyl)methyl]amino]ethyl-[(3-methoxyphenyl)methyl]amino]methyl]pyridine-2-carboxylate?
The InChIKey is DTVJMYWSPYSMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N4O6/c1-41-29-13-5-9-25(19-29)21-37(23-27-11-7-15-31(35-27)33(39)43-3)17-18-38(22-26-10-6-14-30(20-26)42-2)24-28-12-8-16-32(36-28)34(40)44-4/h5-16,19-20H,17-18,21-24H2,1-4H3.
What are the key properties of methyl 6-[[2-[(6-methoxycarbonyl-2-pyridinyl)methyl-[(3-methoxyphenyl)methyl]amino]ethyl-[(3-methoxyphenyl)methyl]amino]methyl]pyridine-2-carboxylate?
methyl 6-[[2-[(6-methoxycarbonyl-2-pyridinyl)methyl-[(3-methoxyphenyl)methyl]amino]ethyl-[(3-methoxyphenyl)methyl]amino]methyl]pyridine-2-carboxylate has a molecular weight of 598.70 g/mol, XLogP of 4.77, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[2-[(6-methoxycarbonyl-2-pyridinyl)methyl-[(3-methoxyphenyl)methyl]amino]ethyl-[(3-methoxyphenyl)methyl]amino]methyl]pyridine-2-carboxylate is sourced from PubChem (CID 58567046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).