1-[3-(dimethylamino)-3-oxopropyl]-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide

C21H25N3O3 — CID 178166160

IUPAC1-[3-(dimethylamino)-3-oxopropyl]-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide
SMILESCN(C)C(=O)CCn1cc(C(=O)NC2CC(c3ccccc3)C2)ccc1=O
InChIInChI=1S/C21H25N3O3/c1-23(2)19(25)10-11-24-14-16(8-9-20(24)26)21(27)22-18-12-17(13-18)15-6-4-3-5-7-15/h3-9,14,17-18H,10-13H2,1-2H3,(H,22,27)
InChIKeyQSVHXJPPRNAFMV-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.00
Rot. Bonds6

About 1-[3-(dimethylamino)-3-oxopropyl]-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide

1-[3-(dimethylamino)-3-oxopropyl]-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide (PubChem CID 178166160) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-[3-(dimethylamino)-3-oxopropyl]-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(dimethylamino)-3-oxopropyl]-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide
PubChem CID178166160
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name1-[3-(dimethylamino)-3-oxopropyl]-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide
SMILESCN(C)C(=O)CCn1cc(C(=O)NC2CC(c3ccccc3)C2)ccc1=O
InChIInChI=1S/C21H25N3O3/c1-23(2)19(25)10-11-24-14-16(8-9-20(24)26)21(27)22-18-12-17(13-18)15-6-4-3-5-7-15/h3-9,14,17-18H,10-13H2,1-2H3,(H,22,27)
InChIKeyQSVHXJPPRNAFMV-UHFFFAOYSA-N
XLogP2.00
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)-3-oxopropyl]-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide?
The IUPAC name of 1-[3-(dimethylamino)-3-oxopropyl]-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide (CID 178166160) is 1-[3-(dimethylamino)-3-oxopropyl]-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-[3-(dimethylamino)-3-oxopropyl]-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide?
The canonical SMILES for 1-[3-(dimethylamino)-3-oxopropyl]-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide is CN(C)C(=O)CCn1cc(C(=O)NC2CC(c3ccccc3)C2)ccc1=O.
What is the InChIKey of 1-[3-(dimethylamino)-3-oxopropyl]-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide?
The InChIKey is QSVHXJPPRNAFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-23(2)19(25)10-11-24-14-16(8-9-20(24)26)21(27)22-18-12-17(13-18)15-6-4-3-5-7-15/h3-9,14,17-18H,10-13H2,1-2H3,(H,22,27).
What are the key properties of 1-[3-(dimethylamino)-3-oxopropyl]-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide?
1-[3-(dimethylamino)-3-oxopropyl]-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)-3-oxopropyl]-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide is sourced from PubChem (CID 178166160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).