methyl N-[4-[6-(2-hydroxyethoxy)-4-[2-methyl-5-[[2-(1-methylazetidin-3-yl)acetyl]amino]-3-pyridinyl]-2-pyridinyl]-2-pyridinyl]carbamate

C26H30N6O5 — CID 170384754

IUPACmethyl N-[4-[6-(2-hydroxyethoxy)-4-[2-methyl-5-[[2-(1-methylazetidin-3-yl)acetyl]amino]-3-pyridinyl]-2-pyridinyl]-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1cc(-c2cc(-c3cc(NC(=O)CC4CN(C)C4)cnc3C)cc(OCCO)n2)ccn1
InChIInChI=1S/C26H30N6O5/c1-16-21(12-20(13-28-16)29-24(34)8-17-14-32(2)15-17)19-9-22(30-25(11-19)37-7-6-33)18-4-5-27-23(10-18)31-26(35)36-3/h4-5,9-13,17,33H,6-8,14-15H2,1-3H3,(H,29,34)(H,27,31,35)
InChIKeyVAMXZSGTZRNJIO-UHFFFAOYSA-N
MW506.56 g/mol
LogP2.95
Rot. Bonds9

About methyl N-[4-[6-(2-hydroxyethoxy)-4-[2-methyl-5-[[2-(1-methylazetidin-3-yl)acetyl]amino]-3-pyridinyl]-2-pyridinyl]-2-pyridinyl]carbamate

methyl N-[4-[6-(2-hydroxyethoxy)-4-[2-methyl-5-[[2-(1-methylazetidin-3-yl)acetyl]amino]-3-pyridinyl]-2-pyridinyl]-2-pyridinyl]carbamate (PubChem CID 170384754) has the molecular formula C26H30N6O5 and a molecular weight of 506.56 g/mol. Its IUPAC name is methyl N-[4-[6-(2-hydroxyethoxy)-4-[2-methyl-5-[[2-(1-methylazetidin-3-yl)acetyl]amino]-3-pyridinyl]-2-pyridinyl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[6-(2-hydroxyethoxy)-4-[2-methyl-5-[[2-(1-methylazetidin-3-yl)acetyl]amino]-3-pyridinyl]-2-pyridinyl]-2-pyridinyl]carbamate
PubChem CID170384754
Molecular FormulaC26H30N6O5
Molecular Weight506.56 g/mol
Exact Mass506.23
IUPAC Namemethyl N-[4-[6-(2-hydroxyethoxy)-4-[2-methyl-5-[[2-(1-methylazetidin-3-yl)acetyl]amino]-3-pyridinyl]-2-pyridinyl]-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1cc(-c2cc(-c3cc(NC(=O)CC4CN(C)C4)cnc3C)cc(OCCO)n2)ccn1
InChIInChI=1S/C26H30N6O5/c1-16-21(12-20(13-28-16)29-24(34)8-17-14-32(2)15-17)19-9-22(30-25(11-19)37-7-6-33)18-4-5-27-23(10-18)31-26(35)36-3/h4-5,9-13,17,33H,6-8,14-15H2,1-3H3,(H,29,34)(H,27,31,35)
InChIKeyVAMXZSGTZRNJIO-UHFFFAOYSA-N
XLogP2.95
TPSA138.80 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.56
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze methyl N-[4-[6-(2-hydroxyethoxy)-4-[2-methyl-5-[[2-(1-methylazetidin-3-yl)acetyl]amino]-3-pyridinyl]-2-pyridinyl]-2-pyridinyl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

2-[[4-(5-amino-2-methyl-3-pyridinyl)-6-[2-(methylamino)-4-pyridinyl]-2-pyridinyl]oxy]ethanol
CID 168928493
methyl N-[4-[4-[5-(3,3-dimethylbutylcarbamoylamino)-2-methyl-3-pyridinyl]-2-pyridinyl]-2-pyridinyl]carbamate
CID 168929128
2-[[4-(5-amino-2-methyl-3-pyridinyl)-6-(2-methoxy-4-pyridinyl)-2-pyridinyl]oxy]ethanol
CID 168928761
methyl N-[4-(5-fluoro-6-methyl-2-pyridinyl)-2-pyridinyl]carbamate
CID 166473361
N-[4-[4-[5-(ethylcarbamoylamino)-4-fluoro-2-methylphenyl]-6-(2-hydroxyethoxy)-2-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide
CID 168928337
2-[[4-[5-[2-(azetidin-1-yl)ethylamino]-4-fluoro-2-methylphenyl]-6-(2-methoxy-4-pyridinyl)-2-pyridinyl]oxy]ethanol;ethane;formamide;methyl N-[6-[5-[5-[[4-formamido-2-(trifluoromethyl)butyl]amino]-2-methylphenyl]-3-pyridinyl]pyrimidin-4-yl]carbamate
CID 168928512
methyl N-[4-[6-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-[2,4-difluoro-5-(2,2,2-trichloroethoxycarbonylamino)phenyl]-2-pyridinyl]-2-pyridinyl]carbamate
CID 170516560
2-cyclohexyl-N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]acetamide
CID 53379793
methyl N-[4-[6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]pyridazin-4-yl]-2-pyridinyl]carbamate
CID 168929923
2,2,2-trichloroethyl N-[6-methyl-5-[4-[2-(methylamino)-4-pyridinyl]pyrimidin-2-yl]-3-pyridinyl]carbamate
CID 168928631
methyl N-[4-[2-(5-amino-2-methylphenyl)pyrimidin-4-yl]-2-pyridinyl]carbamate
CID 168929213
N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]-2-(thietan-3-yl)acetamide
CID 138989339

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[6-(2-hydroxyethoxy)-4-[2-methyl-5-[[2-(1-methylazetidin-3-yl)acetyl]amino]-3-pyridinyl]-2-pyridinyl]-2-pyridinyl]carbamate?
The IUPAC name of methyl N-[4-[6-(2-hydroxyethoxy)-4-[2-methyl-5-[[2-(1-methylazetidin-3-yl)acetyl]amino]-3-pyridinyl]-2-pyridinyl]-2-pyridinyl]carbamate (CID 170384754) is methyl N-[4-[6-(2-hydroxyethoxy)-4-[2-methyl-5-[[2-(1-methylazetidin-3-yl)acetyl]amino]-3-pyridinyl]-2-pyridinyl]-2-pyridinyl]carbamate.
What is the SMILES notation for methyl N-[4-[6-(2-hydroxyethoxy)-4-[2-methyl-5-[[2-(1-methylazetidin-3-yl)acetyl]amino]-3-pyridinyl]-2-pyridinyl]-2-pyridinyl]carbamate?
The canonical SMILES for methyl N-[4-[6-(2-hydroxyethoxy)-4-[2-methyl-5-[[2-(1-methylazetidin-3-yl)acetyl]amino]-3-pyridinyl]-2-pyridinyl]-2-pyridinyl]carbamate is COC(=O)Nc1cc(-c2cc(-c3cc(NC(=O)CC4CN(C)C4)cnc3C)cc(OCCO)n2)ccn1.
What is the InChIKey of methyl N-[4-[6-(2-hydroxyethoxy)-4-[2-methyl-5-[[2-(1-methylazetidin-3-yl)acetyl]amino]-3-pyridinyl]-2-pyridinyl]-2-pyridinyl]carbamate?
The InChIKey is VAMXZSGTZRNJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O5/c1-16-21(12-20(13-28-16)29-24(34)8-17-14-32(2)15-17)19-9-22(30-25(11-19)37-7-6-33)18-4-5-27-23(10-18)31-26(35)36-3/h4-5,9-13,17,33H,6-8,14-15H2,1-3H3,(H,29,34)(H,27,31,35).
What are the key properties of methyl N-[4-[6-(2-hydroxyethoxy)-4-[2-methyl-5-[[2-(1-methylazetidin-3-yl)acetyl]amino]-3-pyridinyl]-2-pyridinyl]-2-pyridinyl]carbamate?
methyl N-[4-[6-(2-hydroxyethoxy)-4-[2-methyl-5-[[2-(1-methylazetidin-3-yl)acetyl]amino]-3-pyridinyl]-2-pyridinyl]-2-pyridinyl]carbamate has a molecular weight of 506.56 g/mol, XLogP of 2.95, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[6-(2-hydroxyethoxy)-4-[2-methyl-5-[[2-(1-methylazetidin-3-yl)acetyl]amino]-3-pyridinyl]-2-pyridinyl]-2-pyridinyl]carbamate is sourced from PubChem (CID 170384754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).