[1-(N-(3-amino-2-pyridinyl)-2-methoxyanilino)-1-oxopropan-2-yl]carbamic acid

C16H18N4O4 — CID 70922796

IUPAC[1-(N-(3-amino-2-pyridinyl)-2-methoxyanilino)-1-oxopropan-2-yl]carbamic acid
SMILESCOc1ccccc1N(C(=O)C(C)NC(=O)O)c1ncccc1N
InChIInChI=1S/C16H18N4O4/c1-10(19-16(22)23)15(21)20(14-11(17)6-5-9-18-14)12-7-3-4-8-13(12)24-2/h3-10,19H,17H2,1-2H3,(H,22,23)
InChIKeyASYIMRAIEVJILO-UHFFFAOYSA-N
MW330.34 g/mol
LogP1.99
Rot. Bonds5

About [1-(N-(3-amino-2-pyridinyl)-2-methoxyanilino)-1-oxopropan-2-yl]carbamic acid

[1-(N-(3-amino-2-pyridinyl)-2-methoxyanilino)-1-oxopropan-2-yl]carbamic acid (PubChem CID 70922796) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is [1-(N-(3-amino-2-pyridinyl)-2-methoxyanilino)-1-oxopropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-(N-(3-amino-2-pyridinyl)-2-methoxyanilino)-1-oxopropan-2-yl]carbamic acid
PubChem CID70922796
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name[1-(N-(3-amino-2-pyridinyl)-2-methoxyanilino)-1-oxopropan-2-yl]carbamic acid
SMILESCOc1ccccc1N(C(=O)C(C)NC(=O)O)c1ncccc1N
InChIInChI=1S/C16H18N4O4/c1-10(19-16(22)23)15(21)20(14-11(17)6-5-9-18-14)12-7-3-4-8-13(12)24-2/h3-10,19H,17H2,1-2H3,(H,22,23)
InChIKeyASYIMRAIEVJILO-UHFFFAOYSA-N
XLogP1.99
TPSA117.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(N-(3-amino-2-pyridinyl)-2-methoxyanilino)-1-oxopropan-2-yl]carbamic acid?
The IUPAC name of [1-(N-(3-amino-2-pyridinyl)-2-methoxyanilino)-1-oxopropan-2-yl]carbamic acid (CID 70922796) is [1-(N-(3-amino-2-pyridinyl)-2-methoxyanilino)-1-oxopropan-2-yl]carbamic acid.
What is the SMILES notation for [1-(N-(3-amino-2-pyridinyl)-2-methoxyanilino)-1-oxopropan-2-yl]carbamic acid?
The canonical SMILES for [1-(N-(3-amino-2-pyridinyl)-2-methoxyanilino)-1-oxopropan-2-yl]carbamic acid is COc1ccccc1N(C(=O)C(C)NC(=O)O)c1ncccc1N.
What is the InChIKey of [1-(N-(3-amino-2-pyridinyl)-2-methoxyanilino)-1-oxopropan-2-yl]carbamic acid?
The InChIKey is ASYIMRAIEVJILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-10(19-16(22)23)15(21)20(14-11(17)6-5-9-18-14)12-7-3-4-8-13(12)24-2/h3-10,19H,17H2,1-2H3,(H,22,23).
What are the key properties of [1-(N-(3-amino-2-pyridinyl)-2-methoxyanilino)-1-oxopropan-2-yl]carbamic acid?
[1-(N-(3-amino-2-pyridinyl)-2-methoxyanilino)-1-oxopropan-2-yl]carbamic acid has a molecular weight of 330.34 g/mol, XLogP of 1.99, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(N-(3-amino-2-pyridinyl)-2-methoxyanilino)-1-oxopropan-2-yl]carbamic acid is sourced from PubChem (CID 70922796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).