ethyl N-[2-amino-6-(naphthalen-2-ylmethylamino)-3-pyridinyl]carbamate

C19H20N4O2 — CID 110178533

IUPACethyl N-[2-amino-6-(naphthalen-2-ylmethylamino)-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCc2ccc3ccccc3c2)nc1N
InChIInChI=1S/C19H20N4O2/c1-2-25-19(24)22-16-9-10-17(23-18(16)20)21-12-13-7-8-14-5-3-4-6-15(14)11-13/h3-11H,2,12H2,1H3,(H,22,24)(H3,20,21,23)
InChIKeyLGZNUOHSEPPVGG-UHFFFAOYSA-N
MW336.40 g/mol
LogP4.00
Rot. Bonds5

About ethyl N-[2-amino-6-(naphthalen-2-ylmethylamino)-3-pyridinyl]carbamate

ethyl N-[2-amino-6-(naphthalen-2-ylmethylamino)-3-pyridinyl]carbamate (PubChem CID 110178533) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is ethyl N-[2-amino-6-(naphthalen-2-ylmethylamino)-3-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-amino-6-(naphthalen-2-ylmethylamino)-3-pyridinyl]carbamate
PubChem CID110178533
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Nameethyl N-[2-amino-6-(naphthalen-2-ylmethylamino)-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCc2ccc3ccccc3c2)nc1N
InChIInChI=1S/C19H20N4O2/c1-2-25-19(24)22-16-9-10-17(23-18(16)20)21-12-13-7-8-14-5-3-4-6-15(14)11-13/h3-11H,2,12H2,1H3,(H,22,24)(H3,20,21,23)
InChIKeyLGZNUOHSEPPVGG-UHFFFAOYSA-N
XLogP4.00
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-amino-6-(naphthalen-2-ylmethylamino)-3-pyridinyl]carbamate?
The IUPAC name of ethyl N-[2-amino-6-(naphthalen-2-ylmethylamino)-3-pyridinyl]carbamate (CID 110178533) is ethyl N-[2-amino-6-(naphthalen-2-ylmethylamino)-3-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[2-amino-6-(naphthalen-2-ylmethylamino)-3-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[2-amino-6-(naphthalen-2-ylmethylamino)-3-pyridinyl]carbamate is CCOC(=O)Nc1ccc(NCc2ccc3ccccc3c2)nc1N.
What is the InChIKey of ethyl N-[2-amino-6-(naphthalen-2-ylmethylamino)-3-pyridinyl]carbamate?
The InChIKey is LGZNUOHSEPPVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-2-25-19(24)22-16-9-10-17(23-18(16)20)21-12-13-7-8-14-5-3-4-6-15(14)11-13/h3-11H,2,12H2,1H3,(H,22,24)(H3,20,21,23).
What are the key properties of ethyl N-[2-amino-6-(naphthalen-2-ylmethylamino)-3-pyridinyl]carbamate?
ethyl N-[2-amino-6-(naphthalen-2-ylmethylamino)-3-pyridinyl]carbamate has a molecular weight of 336.40 g/mol, XLogP of 4.00, 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-(naphthalen-2-ylmethylamino)-3-pyridinyl]carbamate is sourced from PubChem (CID 110178533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).