N-[6-(2-methoxyanilino)-2-pyridinyl]cyclopropanecarboxamide

C16H17N3O2 — CID 91580732

IUPACN-[6-(2-methoxyanilino)-2-pyridinyl]cyclopropanecarboxamide
SMILESCOc1ccccc1Nc1cccc(NC(=O)C2CC2)n1
InChIInChI=1S/C16H17N3O2/c1-21-13-6-3-2-5-12(13)17-14-7-4-8-15(18-14)19-16(20)11-9-10-11/h2-8,11H,9-10H2,1H3,(H2,17,18,19,20)
InChIKeyLEAPVVRVHJCKIP-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.18
Rot. Bonds5

About N-[6-(2-methoxyanilino)-2-pyridinyl]cyclopropanecarboxamide

N-[6-(2-methoxyanilino)-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 91580732) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[6-(2-methoxyanilino)-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-(2-methoxyanilino)-2-pyridinyl]cyclopropanecarboxamide
PubChem CID91580732
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[6-(2-methoxyanilino)-2-pyridinyl]cyclopropanecarboxamide
SMILESCOc1ccccc1Nc1cccc(NC(=O)C2CC2)n1
InChIInChI=1S/C16H17N3O2/c1-21-13-6-3-2-5-12(13)17-14-7-4-8-15(18-14)19-16(20)11-9-10-11/h2-8,11H,9-10H2,1H3,(H2,17,18,19,20)
InChIKeyLEAPVVRVHJCKIP-UHFFFAOYSA-N
XLogP3.18
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methoxyanilino)-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[6-(2-methoxyanilino)-2-pyridinyl]cyclopropanecarboxamide (CID 91580732) is N-[6-(2-methoxyanilino)-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-(2-methoxyanilino)-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-(2-methoxyanilino)-2-pyridinyl]cyclopropanecarboxamide is COc1ccccc1Nc1cccc(NC(=O)C2CC2)n1.
What is the InChIKey of N-[6-(2-methoxyanilino)-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is LEAPVVRVHJCKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-21-13-6-3-2-5-12(13)17-14-7-4-8-15(18-14)19-16(20)11-9-10-11/h2-8,11H,9-10H2,1H3,(H2,17,18,19,20).
What are the key properties of N-[6-(2-methoxyanilino)-2-pyridinyl]cyclopropanecarboxamide?
N-[6-(2-methoxyanilino)-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 283.33 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methoxyanilino)-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 91580732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).