methyl 6-[[dipyridin-2-ylmethyl-[(5-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]pyridine-3-carboxylate

C27H25N5O4 — CID 10814689

IUPACmethyl 6-[[dipyridin-2-ylmethyl-[(5-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CN(Cc2ccc(C(=O)OC)cn2)C(c2ccccn2)c2ccccn2)nc1
InChIInChI=1S/C27H25N5O4/c1-35-26(33)19-9-11-21(30-15-19)17-32(18-22-12-10-20(16-31-22)27(34)36-2)25(23-7-3-5-13-28-23)24-8-4-6-14-29-24/h3-16,25H,17-18H2,1-2H3
InChIKeyAFFSQTXZYCPIQQ-UHFFFAOYSA-N
MW483.53 g/mol
LogP3.63
Rot. Bonds9

About methyl 6-[[dipyridin-2-ylmethyl-[(5-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]pyridine-3-carboxylate

methyl 6-[[dipyridin-2-ylmethyl-[(5-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]pyridine-3-carboxylate (PubChem CID 10814689) has the molecular formula C27H25N5O4 and a molecular weight of 483.53 g/mol. Its IUPAC name is methyl 6-[[dipyridin-2-ylmethyl-[(5-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[dipyridin-2-ylmethyl-[(5-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]pyridine-3-carboxylate
PubChem CID10814689
Molecular FormulaC27H25N5O4
Molecular Weight483.53 g/mol
Exact Mass483.19
IUPAC Namemethyl 6-[[dipyridin-2-ylmethyl-[(5-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CN(Cc2ccc(C(=O)OC)cn2)C(c2ccccn2)c2ccccn2)nc1
InChIInChI=1S/C27H25N5O4/c1-35-26(33)19-9-11-21(30-15-19)17-32(18-22-12-10-20(16-31-22)27(34)36-2)25(23-7-3-5-13-28-23)24-8-4-6-14-29-24/h3-16,25H,17-18H2,1-2H3
InChIKeyAFFSQTXZYCPIQQ-UHFFFAOYSA-N
XLogP3.63
TPSA107.40 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.53
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze methyl 6-[[dipyridin-2-ylmethyl-[(5-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]pyridine-3-carboxylate with MolForge

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Related Compounds

Niceritrol
CID 4476
Hepronicate
CID 3588
4,4'-Dimethyl [2,2'-bipyridine]-4,4'-dicarboxylate
CID 326419
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-[(dimethylamino)methyl]cyclohexyl]amino]-6-pyridin-4-yl-1,5-naphthyridine-3-carboxylate
CID 156021830
Methyl 2,2':6',2''-Terpyridine-4'-carboxylate
CID 10589647
Diethyl [2,2'-Bipyridine]-5,5'-dicarboxylate
CID 12227215
Dimethyl 2,2'-Bipyridine-5,5'-dicarboxylate
CID 12970938
Trimethyl 2,2':6',2''-Terpyridine-4,4',4''-tricarboxylate
CID 66776557
Ethyl 4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(2-methyl-4-pyridinyl)-1,5-naphthyridine-3-carboxylate
CID 156018459
Dimethyl [2,2'-bipyridine]-3,3'-dicarboxylate
CID 417467

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[dipyridin-2-ylmethyl-[(5-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[[dipyridin-2-ylmethyl-[(5-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]pyridine-3-carboxylate (CID 10814689) is methyl 6-[[dipyridin-2-ylmethyl-[(5-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[dipyridin-2-ylmethyl-[(5-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[dipyridin-2-ylmethyl-[(5-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]pyridine-3-carboxylate is COC(=O)c1ccc(CN(Cc2ccc(C(=O)OC)cn2)C(c2ccccn2)c2ccccn2)nc1.
What is the InChIKey of methyl 6-[[dipyridin-2-ylmethyl-[(5-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]pyridine-3-carboxylate?
The InChIKey is AFFSQTXZYCPIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O4/c1-35-26(33)19-9-11-21(30-15-19)17-32(18-22-12-10-20(16-31-22)27(34)36-2)25(23-7-3-5-13-28-23)24-8-4-6-14-29-24/h3-16,25H,17-18H2,1-2H3.
What are the key properties of methyl 6-[[dipyridin-2-ylmethyl-[(5-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]pyridine-3-carboxylate?
methyl 6-[[dipyridin-2-ylmethyl-[(5-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]pyridine-3-carboxylate has a molecular weight of 483.53 g/mol, XLogP of 3.63, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[dipyridin-2-ylmethyl-[(5-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]pyridine-3-carboxylate is sourced from PubChem (CID 10814689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).