ethyl N-[2-amino-6-[(2,6-dimethylphenyl)methylamino]-3-pyridinyl]carbamate;hydrochloride

C17H23ClN4O2 — CID 45261324

IUPACethyl N-[2-amino-6-[(2,6-dimethylphenyl)methylamino]-3-pyridinyl]carbamate;hydrochloride
SMILESCCOC(=O)Nc1ccc(NCc2c(C)cccc2C)nc1N.Cl
InChIInChI=1S/C17H22N4O2.ClH/c1-4-23-17(22)20-14-8-9-15(21-16(14)18)19-10-13-11(2)6-5-7-12(13)3;/h5-9H,4,10H2,1-3H3,(H,20,22)(H3,18,19,21);1H
InChIKeyQTYYBRQJBJCVQD-UHFFFAOYSA-N
MW350.85 g/mol
LogP3.88
Rot. Bonds5

About ethyl N-[2-amino-6-[(2,6-dimethylphenyl)methylamino]-3-pyridinyl]carbamate;hydrochloride

ethyl N-[2-amino-6-[(2,6-dimethylphenyl)methylamino]-3-pyridinyl]carbamate;hydrochloride (PubChem CID 45261324) has the molecular formula C17H23ClN4O2 and a molecular weight of 350.85 g/mol. Its IUPAC name is ethyl N-[2-amino-6-[(2,6-dimethylphenyl)methylamino]-3-pyridinyl]carbamate;hydrochloride.

Molecular Properties

Compound Nameethyl N-[2-amino-6-[(2,6-dimethylphenyl)methylamino]-3-pyridinyl]carbamate;hydrochloride
PubChem CID45261324
Molecular FormulaC17H23ClN4O2
Molecular Weight350.85 g/mol
Exact Mass350.15
IUPAC Nameethyl N-[2-amino-6-[(2,6-dimethylphenyl)methylamino]-3-pyridinyl]carbamate;hydrochloride
SMILESCCOC(=O)Nc1ccc(NCc2c(C)cccc2C)nc1N.Cl
InChIInChI=1S/C17H22N4O2.ClH/c1-4-23-17(22)20-14-8-9-15(21-16(14)18)19-10-13-11(2)6-5-7-12(13)3;/h5-9H,4,10H2,1-3H3,(H,20,22)(H3,18,19,21);1H
InChIKeyQTYYBRQJBJCVQD-UHFFFAOYSA-N
XLogP3.88
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[2-amino-6-[(2,4-dimethylphenyl)methylamino]-3-pyridinyl]carbamate;hydrochloride
CID 45261304
ethyl N-[2-amino-6-(furan-2-ylmethylamino)-3-pyridinyl]carbamate
CID 110178948
ethane;ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate
CID 153394509
ethyl N-[2-amino-6-[(4-thiophen-2-ylphenyl)methylamino]-3-pyridinyl]carbamate
CID 137420884
ethyl N-[2-amino-6-[(2,4-difluorophenyl)methylamino]-3-pyridinyl]carbamate
CID 10426258
ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;methanesulfonate
CID 131740296
ethyl N-[2-amino-6-[[(E)-3-phenylprop-2-enyl]amino]-3-pyridinyl]carbamate
CID 110179492
ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;thiocyanic acid
CID 87118898
ethyl N-[3-amino-6-[(2,4,6-trimethylphenyl)methylamino]-2-pyridinyl]carbamate
CID 110179683
ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;2-hydroxybenzoic acid
CID 66706287
ethyl N-[2-amino-6-[(4-fluorocyclohexa-1,5-dien-1-yl)methylamino]-3-pyridinyl]carbamate
CID 123284761
ethyl N-[2-amino-6-[(2-hydroxy-1,2-diphenylethyl)amino]-3-pyridinyl]carbamate
CID 110179116

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-amino-6-[(2,6-dimethylphenyl)methylamino]-3-pyridinyl]carbamate;hydrochloride?
The IUPAC name of ethyl N-[2-amino-6-[(2,6-dimethylphenyl)methylamino]-3-pyridinyl]carbamate;hydrochloride (CID 45261324) is ethyl N-[2-amino-6-[(2,6-dimethylphenyl)methylamino]-3-pyridinyl]carbamate;hydrochloride.
What is the SMILES notation for ethyl N-[2-amino-6-[(2,6-dimethylphenyl)methylamino]-3-pyridinyl]carbamate;hydrochloride?
The canonical SMILES for ethyl N-[2-amino-6-[(2,6-dimethylphenyl)methylamino]-3-pyridinyl]carbamate;hydrochloride is CCOC(=O)Nc1ccc(NCc2c(C)cccc2C)nc1N.Cl.
What is the InChIKey of ethyl N-[2-amino-6-[(2,6-dimethylphenyl)methylamino]-3-pyridinyl]carbamate;hydrochloride?
The InChIKey is QTYYBRQJBJCVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2.ClH/c1-4-23-17(22)20-14-8-9-15(21-16(14)18)19-10-13-11(2)6-5-7-12(13)3;/h5-9H,4,10H2,1-3H3,(H,20,22)(H3,18,19,21);1H.
What are the key properties of ethyl N-[2-amino-6-[(2,6-dimethylphenyl)methylamino]-3-pyridinyl]carbamate;hydrochloride?
ethyl N-[2-amino-6-[(2,6-dimethylphenyl)methylamino]-3-pyridinyl]carbamate;hydrochloride has a molecular weight of 350.85 g/mol, XLogP of 3.88, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-amino-6-[(2,6-dimethylphenyl)methylamino]-3-pyridinyl]carbamate;hydrochloride is sourced from PubChem (CID 45261324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).