ethyl N-[3-amino-6-[(2,4,6-trimethylphenyl)methylamino]-2-pyridinyl]carbamate

C18H24N4O2 — CID 110179683

IUPACethyl N-[3-amino-6-[(2,4,6-trimethylphenyl)methylamino]-2-pyridinyl]carbamate
SMILESCCOC(=O)Nc1nc(NCc2c(C)cc(C)cc2C)ccc1N
InChIInChI=1S/C18H24N4O2/c1-5-24-18(23)22-17-15(19)6-7-16(21-17)20-10-14-12(3)8-11(2)9-13(14)4/h6-9H,5,10,19H2,1-4H3,(H2,20,21,22,23)
InChIKeyMSNFQPMRBWMNIR-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.77
Rot. Bonds5

About ethyl N-[3-amino-6-[(2,4,6-trimethylphenyl)methylamino]-2-pyridinyl]carbamate

ethyl N-[3-amino-6-[(2,4,6-trimethylphenyl)methylamino]-2-pyridinyl]carbamate (PubChem CID 110179683) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is ethyl N-[3-amino-6-[(2,4,6-trimethylphenyl)methylamino]-2-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-amino-6-[(2,4,6-trimethylphenyl)methylamino]-2-pyridinyl]carbamate
PubChem CID110179683
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Nameethyl N-[3-amino-6-[(2,4,6-trimethylphenyl)methylamino]-2-pyridinyl]carbamate
SMILESCCOC(=O)Nc1nc(NCc2c(C)cc(C)cc2C)ccc1N
InChIInChI=1S/C18H24N4O2/c1-5-24-18(23)22-17-15(19)6-7-16(21-17)20-10-14-12(3)8-11(2)9-13(14)4/h6-9H,5,10,19H2,1-4H3,(H2,20,21,22,23)
InChIKeyMSNFQPMRBWMNIR-UHFFFAOYSA-N
XLogP3.77
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[2-amino-6-[(2,6-dimethylphenyl)methylamino]-3-pyridinyl]carbamate;hydrochloride
CID 45261324
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
tert-butyl N-(3-amino-6-ethoxy-2-pyridinyl)carbamate
CID 86767458
ethyl N-(3,6-dimethyl-2-pyridinyl)carbamate
CID 12887749
ethyl N-[6-[(4-methoxyphenyl)methylamino]-2-(methylamino)-3-pyridinyl]carbamate
CID 110179026
ethyl N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]carbamate
CID 113041120
ethyl N-[2-amino-6-[(2,4-difluorophenyl)methylamino]-3-pyridinyl]carbamate
CID 10426258
ethane;ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate
CID 153394509
ethyl N-[6-(3,5-dimethylanilino)pyridazin-3-yl]carbamate
CID 113046451
ethyl N-[2-amino-6-[1-(2,4-dimethylphenyl)ethylamino]-3-pyridinyl]carbamate
CID 110179360
ethyl N-[2-(ethoxycarbonylamino)pyrimidin-4-yl]carbamate
CID 157074454

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-amino-6-[(2,4,6-trimethylphenyl)methylamino]-2-pyridinyl]carbamate?
The IUPAC name of ethyl N-[3-amino-6-[(2,4,6-trimethylphenyl)methylamino]-2-pyridinyl]carbamate (CID 110179683) is ethyl N-[3-amino-6-[(2,4,6-trimethylphenyl)methylamino]-2-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[3-amino-6-[(2,4,6-trimethylphenyl)methylamino]-2-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[3-amino-6-[(2,4,6-trimethylphenyl)methylamino]-2-pyridinyl]carbamate is CCOC(=O)Nc1nc(NCc2c(C)cc(C)cc2C)ccc1N.
What is the InChIKey of ethyl N-[3-amino-6-[(2,4,6-trimethylphenyl)methylamino]-2-pyridinyl]carbamate?
The InChIKey is MSNFQPMRBWMNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-5-24-18(23)22-17-15(19)6-7-16(21-17)20-10-14-12(3)8-11(2)9-13(14)4/h6-9H,5,10,19H2,1-4H3,(H2,20,21,22,23).
What are the key properties of ethyl N-[3-amino-6-[(2,4,6-trimethylphenyl)methylamino]-2-pyridinyl]carbamate?
ethyl N-[3-amino-6-[(2,4,6-trimethylphenyl)methylamino]-2-pyridinyl]carbamate has a molecular weight of 328.42 g/mol, XLogP of 3.77, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-amino-6-[(2,4,6-trimethylphenyl)methylamino]-2-pyridinyl]carbamate is sourced from PubChem (CID 110179683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).