ethyl N-[[4-[(2-methoxy-5-methylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate

C18H21N3O4 — CID 112521186

IUPACethyl N-[[4-[(2-methoxy-5-methylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
SMILESCCOC(=O)NCc1cc(C(=O)Nc2cc(C)ccc2OC)ccn1
InChIInChI=1S/C18H21N3O4/c1-4-25-18(23)20-11-14-10-13(7-8-19-14)17(22)21-15-9-12(2)5-6-16(15)24-3/h5-10H,4,11H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyBJYNIXCPVXUVJE-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.90
Rot. Bonds6

About ethyl N-[[4-[(2-methoxy-5-methylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate

ethyl N-[[4-[(2-methoxy-5-methylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate (PubChem CID 112521186) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is ethyl N-[[4-[(2-methoxy-5-methylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[4-[(2-methoxy-5-methylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
PubChem CID112521186
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Nameethyl N-[[4-[(2-methoxy-5-methylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
SMILESCCOC(=O)NCc1cc(C(=O)Nc2cc(C)ccc2OC)ccn1
InChIInChI=1S/C18H21N3O4/c1-4-25-18(23)20-11-14-10-13(7-8-19-14)17(22)21-15-9-12(2)5-6-16(15)24-3/h5-10H,4,11H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyBJYNIXCPVXUVJE-UHFFFAOYSA-N
XLogP2.90
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(acetamidomethyl)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 112521184
methyl N-[[4-[(2,5-dimethylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
CID 112520824
ethyl N-[[4-[(2-fluorophenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
CID 112521296
ethyl N-[[4-[(4-bromophenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
CID 112520988
methyl N-[[4-[(2,4-dimethoxyphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
CID 112521455
2-tert-butyl-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 4731310
ethyl N-[[4-(diethylcarbamoyl)-2-pyridinyl]methyl]carbamate
CID 112530525
3-amino-N-(2-ethoxy-5-methylphenyl)-4-methoxybenzamide
CID 91684337
4-N-(2-methoxy-5-methylphenyl)-2-N-(3-methylbutyl)pyridine-2,4-dicarboxamide
CID 109089696
2-N-[(2-fluorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide
CID 109086465
ethyl N-[[4-(2-pyridin-4-ylethylcarbamoyl)-2-pyridinyl]methyl]carbamate
CID 112530224
4-N-(2-methoxy-5-methylphenyl)-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109087816

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[4-[(2-methoxy-5-methylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate?
The IUPAC name of ethyl N-[[4-[(2-methoxy-5-methylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate (CID 112521186) is ethyl N-[[4-[(2-methoxy-5-methylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate.
What is the SMILES notation for ethyl N-[[4-[(2-methoxy-5-methylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate?
The canonical SMILES for ethyl N-[[4-[(2-methoxy-5-methylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate is CCOC(=O)NCc1cc(C(=O)Nc2cc(C)ccc2OC)ccn1.
What is the InChIKey of ethyl N-[[4-[(2-methoxy-5-methylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate?
The InChIKey is BJYNIXCPVXUVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-4-25-18(23)20-11-14-10-13(7-8-19-14)17(22)21-15-9-12(2)5-6-16(15)24-3/h5-10H,4,11H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of ethyl N-[[4-[(2-methoxy-5-methylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate?
ethyl N-[[4-[(2-methoxy-5-methylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate has a molecular weight of 343.38 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[4-[(2-methoxy-5-methylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate is sourced from PubChem (CID 112521186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).