1,5-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]-6-oxo-N-(2-phenyl-2-pyridin-3-ylethyl)pyridine-3-carboxamide

C25H28N4O3 — CID 164613362

IUPAC1,5-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]-6-oxo-N-(2-phenyl-2-pyridin-3-ylethyl)pyridine-3-carboxamide
SMILESCNC(=O)C(C)N(CC(c1ccccc1)c1cccnc1)C(=O)c1cc(C)c(=O)n(C)c1
InChIInChI=1S/C25H28N4O3/c1-17-13-21(15-28(4)24(17)31)25(32)29(18(2)23(30)26-3)16-22(19-9-6-5-7-10-19)20-11-8-12-27-14-20/h5-15,18,22H,16H2,1-4H3,(H,26,30)
InChIKeyUYQUAINZYZTAMQ-UHFFFAOYSA-N
MW432.52 g/mol
LogP2.50
Rot. Bonds7

About 1,5-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]-6-oxo-N-(2-phenyl-2-pyridin-3-ylethyl)pyridine-3-carboxamide

1,5-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]-6-oxo-N-(2-phenyl-2-pyridin-3-ylethyl)pyridine-3-carboxamide (PubChem CID 164613362) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 1,5-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]-6-oxo-N-(2-phenyl-2-pyridin-3-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]-6-oxo-N-(2-phenyl-2-pyridin-3-ylethyl)pyridine-3-carboxamide
PubChem CID164613362
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name1,5-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]-6-oxo-N-(2-phenyl-2-pyridin-3-ylethyl)pyridine-3-carboxamide
SMILESCNC(=O)C(C)N(CC(c1ccccc1)c1cccnc1)C(=O)c1cc(C)c(=O)n(C)c1
InChIInChI=1S/C25H28N4O3/c1-17-13-21(15-28(4)24(17)31)25(32)29(18(2)23(30)26-3)16-22(19-9-6-5-7-10-19)20-11-8-12-27-14-20/h5-15,18,22H,16H2,1-4H3,(H,26,30)
InChIKeyUYQUAINZYZTAMQ-UHFFFAOYSA-N
XLogP2.50
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]-6-oxo-N-(2-phenyl-2-pyridin-3-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]-6-oxo-N-(2-phenyl-2-pyridin-3-ylethyl)pyridine-3-carboxamide (CID 164613362) is 1,5-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]-6-oxo-N-(2-phenyl-2-pyridin-3-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]-6-oxo-N-(2-phenyl-2-pyridin-3-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]-6-oxo-N-(2-phenyl-2-pyridin-3-ylethyl)pyridine-3-carboxamide is CNC(=O)C(C)N(CC(c1ccccc1)c1cccnc1)C(=O)c1cc(C)c(=O)n(C)c1.
What is the InChIKey of 1,5-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]-6-oxo-N-(2-phenyl-2-pyridin-3-ylethyl)pyridine-3-carboxamide?
The InChIKey is UYQUAINZYZTAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-17-13-21(15-28(4)24(17)31)25(32)29(18(2)23(30)26-3)16-22(19-9-6-5-7-10-19)20-11-8-12-27-14-20/h5-15,18,22H,16H2,1-4H3,(H,26,30).
What are the key properties of 1,5-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]-6-oxo-N-(2-phenyl-2-pyridin-3-ylethyl)pyridine-3-carboxamide?
1,5-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]-6-oxo-N-(2-phenyl-2-pyridin-3-ylethyl)pyridine-3-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]-6-oxo-N-(2-phenyl-2-pyridin-3-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 164613362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).