ethyl N-[6-[(4-methoxyphenyl)methylamino]-2-(methylamino)-3-pyridinyl]carbamate

C17H22N4O3 — CID 110179026

IUPACethyl N-[6-[(4-methoxyphenyl)methylamino]-2-(methylamino)-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCc2ccc(OC)cc2)nc1NC
InChIInChI=1S/C17H22N4O3/c1-4-24-17(22)20-14-9-10-15(21-16(14)18-2)19-11-12-5-7-13(23-3)8-6-12/h5-10H,4,11H2,1-3H3,(H,20,22)(H2,18,19,21)
InChIKeyYSVAHXFJNNUDDN-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.31
Rot. Bonds7

About ethyl N-[6-[(4-methoxyphenyl)methylamino]-2-(methylamino)-3-pyridinyl]carbamate

ethyl N-[6-[(4-methoxyphenyl)methylamino]-2-(methylamino)-3-pyridinyl]carbamate (PubChem CID 110179026) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is ethyl N-[6-[(4-methoxyphenyl)methylamino]-2-(methylamino)-3-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[6-[(4-methoxyphenyl)methylamino]-2-(methylamino)-3-pyridinyl]carbamate
PubChem CID110179026
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Nameethyl N-[6-[(4-methoxyphenyl)methylamino]-2-(methylamino)-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCc2ccc(OC)cc2)nc1NC
InChIInChI=1S/C17H22N4O3/c1-4-24-17(22)20-14-9-10-15(21-16(14)18-2)19-11-12-5-7-13(23-3)8-6-12/h5-10H,4,11H2,1-3H3,(H,20,22)(H2,18,19,21)
InChIKeyYSVAHXFJNNUDDN-UHFFFAOYSA-N
XLogP3.31
TPSA84.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate
CID 153394509
ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;thiocyanic acid
CID 87118898
ethyl N-[2-amino-6-[(4-thiophen-2-ylphenyl)methylamino]-3-pyridinyl]carbamate
CID 137420884
ethyl N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]carbamate
CID 113041120
ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;2-hydroxybenzoic acid
CID 66706287
ethyl N-(2,4-dimethoxyphenyl)carbamate
CID 2741048
ethyl N-[2-amino-6-(furan-2-ylmethylamino)-3-pyridinyl]carbamate
CID 110178948
ethyl N-[2-amino-6-[(2,6-dimethylphenyl)methylamino]-3-pyridinyl]carbamate;hydrochloride
CID 45261324
4-methoxy-N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041761
ethyl N-[2-amino-6-[(2,4-dimethylphenyl)methylamino]-3-pyridinyl]carbamate;hydrochloride
CID 45261304
methyl N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]carbamate
CID 113027448
4-methoxy-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041085

Frequently Asked Questions

What is the IUPAC name of ethyl N-[6-[(4-methoxyphenyl)methylamino]-2-(methylamino)-3-pyridinyl]carbamate?
The IUPAC name of ethyl N-[6-[(4-methoxyphenyl)methylamino]-2-(methylamino)-3-pyridinyl]carbamate (CID 110179026) is ethyl N-[6-[(4-methoxyphenyl)methylamino]-2-(methylamino)-3-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[6-[(4-methoxyphenyl)methylamino]-2-(methylamino)-3-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[6-[(4-methoxyphenyl)methylamino]-2-(methylamino)-3-pyridinyl]carbamate is CCOC(=O)Nc1ccc(NCc2ccc(OC)cc2)nc1NC.
What is the InChIKey of ethyl N-[6-[(4-methoxyphenyl)methylamino]-2-(methylamino)-3-pyridinyl]carbamate?
The InChIKey is YSVAHXFJNNUDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-4-24-17(22)20-14-9-10-15(21-16(14)18-2)19-11-12-5-7-13(23-3)8-6-12/h5-10H,4,11H2,1-3H3,(H,20,22)(H2,18,19,21).
What are the key properties of ethyl N-[6-[(4-methoxyphenyl)methylamino]-2-(methylamino)-3-pyridinyl]carbamate?
ethyl N-[6-[(4-methoxyphenyl)methylamino]-2-(methylamino)-3-pyridinyl]carbamate has a molecular weight of 330.39 g/mol, XLogP of 3.31, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[6-[(4-methoxyphenyl)methylamino]-2-(methylamino)-3-pyridinyl]carbamate is sourced from PubChem (CID 110179026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).