ethyl N-[2-amino-6-[(4-thiophen-2-ylphenyl)methylamino]-3-pyridinyl]carbamate

C19H20N4O2S — CID 137420884

IUPACethyl N-[2-amino-6-[(4-thiophen-2-ylphenyl)methylamino]-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCc2ccc(-c3cccs3)cc2)nc1N
InChIInChI=1S/C19H20N4O2S/c1-2-25-19(24)22-15-9-10-17(23-18(15)20)21-12-13-5-7-14(8-6-13)16-4-3-11-26-16/h3-11H,2,12H2,1H3,(H,22,24)(H3,20,21,23)
InChIKeyYAXGLAJACTWKEQ-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.57
Rot. Bonds6

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

ethyl N-[2-amino-6-[(4-thiophen-2-ylphenyl)methylamino]-3-pyridinyl]carbamate (PubChem CID 137420884) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is ethyl N-[2-amino-6-[(4-thiophen-2-ylphenyl)methylamino]-3-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-amino-6-[(4-thiophen-2-ylphenyl)methylamino]-3-pyridinyl]carbamate
PubChem CID137420884
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Nameethyl N-[2-amino-6-[(4-thiophen-2-ylphenyl)methylamino]-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCc2ccc(-c3cccs3)cc2)nc1N
InChIInChI=1S/C19H20N4O2S/c1-2-25-19(24)22-15-9-10-17(23-18(15)20)21-12-13-5-7-14(8-6-13)16-4-3-11-26-16/h3-11H,2,12H2,1H3,(H,22,24)(H3,20,21,23)
InChIKeyYAXGLAJACTWKEQ-UHFFFAOYSA-N
XLogP4.57
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.57
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-[(2,6-dimethylphenyl)methylamino]-3-pyridinyl]carbamate;hydrochloride
CID 45261324
ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;methanesulfonate
CID 131740296
ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;thiocyanic acid
CID 87118898
ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;2-hydroxybenzoic acid
CID 66706287
ethyl N-[2-amino-6-(furan-2-ylmethylamino)-3-pyridinyl]carbamate
CID 110178948
ethyl N-[2-amino-6-[(2,4-dimethylphenyl)methylamino]-3-pyridinyl]carbamate;hydrochloride
CID 45261304
tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-(ethoxycarbonylamino)-4-thiophen-2-ylphenyl]carbamate;ethyl carbonochloridate
CID 157328097
ethyl N-[2-amino-6-[(2,4-difluorophenyl)methylamino]-3-pyridinyl]carbamate
CID 10426258
ethyl N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]carbamate
CID 113041120
4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate
CID 11296955
3-bromopropyl N-[2-amino-6-(benzylamino)-3-pyridinyl]carbamate
CID 110187378

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-amino-6-[(4-thiophen-2-ylphenyl)methylamino]-3-pyridinyl]carbamate?
The IUPAC name of ethyl N-[2-amino-6-[(4-thiophen-2-ylphenyl)methylamino]-3-pyridinyl]carbamate (CID 137420884) is ethyl N-[2-amino-6-[(4-thiophen-2-ylphenyl)methylamino]-3-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[2-amino-6-[(4-thiophen-2-ylphenyl)methylamino]-3-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[2-amino-6-[(4-thiophen-2-ylphenyl)methylamino]-3-pyridinyl]carbamate is CCOC(=O)Nc1ccc(NCc2ccc(-c3cccs3)cc2)nc1N.
What is the InChIKey of ethyl N-[2-amino-6-[(4-thiophen-2-ylphenyl)methylamino]-3-pyridinyl]carbamate?
The InChIKey is YAXGLAJACTWKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-2-25-19(24)22-15-9-10-17(23-18(15)20)21-12-13-5-7-14(8-6-13)16-4-3-11-26-16/h3-11H,2,12H2,1H3,(H,22,24)(H3,20,21,23).
What are the key properties of ethyl N-[2-amino-6-[(4-thiophen-2-ylphenyl)methylamino]-3-pyridinyl]carbamate?
ethyl N-[2-amino-6-[(4-thiophen-2-ylphenyl)methylamino]-3-pyridinyl]carbamate has a molecular weight of 368.46 g/mol, XLogP of 4.57, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-amino-6-[(4-thiophen-2-ylphenyl)methylamino]-3-pyridinyl]carbamate is sourced from PubChem (CID 137420884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).