methyl N-[[4-[(2,4-dimethoxyphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate

C17H19N3O5 — CID 112521455

IUPACmethyl N-[[4-[(2,4-dimethoxyphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
SMILESCOC(=O)NCc1cc(C(=O)Nc2ccc(OC)cc2OC)ccn1
InChIInChI=1S/C17H19N3O5/c1-23-13-4-5-14(15(9-13)24-2)20-16(21)11-6-7-18-12(8-11)10-19-17(22)25-3/h4-9H,10H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyZFCYLAKSQPXPIN-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.21
Rot. Bonds6

About methyl N-[[4-[(2,4-dimethoxyphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate

methyl N-[[4-[(2,4-dimethoxyphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate (PubChem CID 112521455) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is methyl N-[[4-[(2,4-dimethoxyphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[4-[(2,4-dimethoxyphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
PubChem CID112521455
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Namemethyl N-[[4-[(2,4-dimethoxyphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
SMILESCOC(=O)NCc1cc(C(=O)Nc2ccc(OC)cc2OC)ccn1
InChIInChI=1S/C17H19N3O5/c1-23-13-4-5-14(15(9-13)24-2)20-16(21)11-6-7-18-12(8-11)10-19-17(22)25-3/h4-9H,10H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyZFCYLAKSQPXPIN-UHFFFAOYSA-N
XLogP2.21
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-methoxypyridine-4-carboxamide
CID 84580517
methyl N-[[4-[(2,5-dimethylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
CID 112520824
2-N-butyl-4-N-(2,4-dimethoxyphenyl)pyridine-2,4-dicarboxamide
CID 109079502
4-N-(2,4-dimethoxyphenyl)-2-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078342
ethyl N-[[4-[(2-methoxy-5-methylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
CID 112521186
2-(aminomethyl)-N-(2-chloro-5-methoxyphenyl)pyridine-4-carboxamide
CID 114326382
2-(acetamidomethyl)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 112521184
3-N-(2,4-dimethoxyphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055230
methyl N-[[4-(1H-benzimidazol-4-ylcarbamoyl)-2-pyridinyl]methyl]carbamate
CID 112523133
4-N-(2,4-dimethoxyphenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide
CID 109093166
2-(azepane-1-carbonyl)-N-(2,4-dimethoxyphenyl)pyridine-4-carboxamide
CID 109090770
N-(2,4-dimethoxyphenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081309

Frequently Asked Questions

What is the IUPAC name of methyl N-[[4-[(2,4-dimethoxyphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate?
The IUPAC name of methyl N-[[4-[(2,4-dimethoxyphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate (CID 112521455) is methyl N-[[4-[(2,4-dimethoxyphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate.
What is the SMILES notation for methyl N-[[4-[(2,4-dimethoxyphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate?
The canonical SMILES for methyl N-[[4-[(2,4-dimethoxyphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate is COC(=O)NCc1cc(C(=O)Nc2ccc(OC)cc2OC)ccn1.
What is the InChIKey of methyl N-[[4-[(2,4-dimethoxyphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate?
The InChIKey is ZFCYLAKSQPXPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-23-13-4-5-14(15(9-13)24-2)20-16(21)11-6-7-18-12(8-11)10-19-17(22)25-3/h4-9H,10H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of methyl N-[[4-[(2,4-dimethoxyphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate?
methyl N-[[4-[(2,4-dimethoxyphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate has a molecular weight of 345.36 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[4-[(2,4-dimethoxyphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate is sourced from PubChem (CID 112521455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).