cyclopropylmethanamine;1-(cyclopropylmethyl)-4-oxo-6-phenylpyridine-3-carboxylic acid

C20H24N2O3 — CID 70566584

IUPACcyclopropylmethanamine;1-(cyclopropylmethyl)-4-oxo-6-phenylpyridine-3-carboxylic acid
SMILESNCC1CC1.O=C(O)c1cn(CC2CC2)c(-c2ccccc2)cc1=O
InChIInChI=1S/C16H15NO3.C4H9N/c18-15-8-14(12-4-2-1-3-5-12)17(9-11-6-7-11)10-13(15)16(19)20;5-3-4-1-2-4/h1-5,8,10-11H,6-7,9H2,(H,19,20);4H,1-3,5H2
InChIKeyUXMSSLOVDZCQBQ-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.98
Rot. Bonds5

About cyclopropylmethanamine;1-(cyclopropylmethyl)-4-oxo-6-phenylpyridine-3-carboxylic acid

cyclopropylmethanamine;1-(cyclopropylmethyl)-4-oxo-6-phenylpyridine-3-carboxylic acid (PubChem CID 70566584) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is cyclopropylmethanamine;1-(cyclopropylmethyl)-4-oxo-6-phenylpyridine-3-carboxylic acid.

Molecular Properties

Compound Namecyclopropylmethanamine;1-(cyclopropylmethyl)-4-oxo-6-phenylpyridine-3-carboxylic acid
PubChem CID70566584
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Namecyclopropylmethanamine;1-(cyclopropylmethyl)-4-oxo-6-phenylpyridine-3-carboxylic acid
SMILESNCC1CC1.O=C(O)c1cn(CC2CC2)c(-c2ccccc2)cc1=O
InChIInChI=1S/C16H15NO3.C4H9N/c18-15-8-14(12-4-2-1-3-5-12)17(9-11-6-7-11)10-13(15)16(19)20;5-3-4-1-2-4/h1-5,8,10-11H,6-7,9H2,(H,19,20);4H,1-3,5H2
InChIKeyUXMSSLOVDZCQBQ-UHFFFAOYSA-N
XLogP2.98
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropylmethanamine;1-(cyclopropylmethyl)-4-oxo-6-phenylpyridine-3-carboxylic acid?
The IUPAC name of cyclopropylmethanamine;1-(cyclopropylmethyl)-4-oxo-6-phenylpyridine-3-carboxylic acid (CID 70566584) is cyclopropylmethanamine;1-(cyclopropylmethyl)-4-oxo-6-phenylpyridine-3-carboxylic acid.
What is the SMILES notation for cyclopropylmethanamine;1-(cyclopropylmethyl)-4-oxo-6-phenylpyridine-3-carboxylic acid?
The canonical SMILES for cyclopropylmethanamine;1-(cyclopropylmethyl)-4-oxo-6-phenylpyridine-3-carboxylic acid is NCC1CC1.O=C(O)c1cn(CC2CC2)c(-c2ccccc2)cc1=O.
What is the InChIKey of cyclopropylmethanamine;1-(cyclopropylmethyl)-4-oxo-6-phenylpyridine-3-carboxylic acid?
The InChIKey is UXMSSLOVDZCQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3.C4H9N/c18-15-8-14(12-4-2-1-3-5-12)17(9-11-6-7-11)10-13(15)16(19)20;5-3-4-1-2-4/h1-5,8,10-11H,6-7,9H2,(H,19,20);4H,1-3,5H2.
What are the key properties of cyclopropylmethanamine;1-(cyclopropylmethyl)-4-oxo-6-phenylpyridine-3-carboxylic acid?
cyclopropylmethanamine;1-(cyclopropylmethyl)-4-oxo-6-phenylpyridine-3-carboxylic acid has a molecular weight of 340.42 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethanamine;1-(cyclopropylmethyl)-4-oxo-6-phenylpyridine-3-carboxylic acid is sourced from PubChem (CID 70566584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).