N-[6-(dimethylamino)-3-pyridinyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide

C18H19N5O3 — CID 30296173

IUPACN-[6-(dimethylamino)-3-pyridinyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
SMILESCN(C)c1ccc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)cn1
InChIInChI=1S/C18H19N5O3/c1-22(2)15-8-7-12(11-19-15)20-16(24)9-10-23-14-6-4-3-5-13(14)17(25)21-18(23)26/h3-8,11H,9-10H2,1-2H3,(H,20,24)(H,21,25,26)
InChIKeyJXDOTYSESMOYPK-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.18
Rot. Bonds5

About N-[6-(dimethylamino)-3-pyridinyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide

N-[6-(dimethylamino)-3-pyridinyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide (PubChem CID 30296173) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[6-(dimethylamino)-3-pyridinyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide.

Molecular Properties

Compound NameN-[6-(dimethylamino)-3-pyridinyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
PubChem CID30296173
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC NameN-[6-(dimethylamino)-3-pyridinyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
SMILESCN(C)c1ccc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)cn1
InChIInChI=1S/C18H19N5O3/c1-22(2)15-8-7-12(11-19-15)20-16(24)9-10-23-14-6-4-3-5-13(14)17(25)21-18(23)26/h3-8,11H,9-10H2,1-2H3,(H,20,24)(H,21,25,26)
InChIKeyJXDOTYSESMOYPK-UHFFFAOYSA-N
XLogP1.18
TPSA100.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(dimethylamino)-3-pyridinyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide?
The IUPAC name of N-[6-(dimethylamino)-3-pyridinyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide (CID 30296173) is N-[6-(dimethylamino)-3-pyridinyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide.
What is the SMILES notation for N-[6-(dimethylamino)-3-pyridinyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide?
The canonical SMILES for N-[6-(dimethylamino)-3-pyridinyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide is CN(C)c1ccc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)cn1.
What is the InChIKey of N-[6-(dimethylamino)-3-pyridinyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide?
The InChIKey is JXDOTYSESMOYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-22(2)15-8-7-12(11-19-15)20-16(24)9-10-23-14-6-4-3-5-13(14)17(25)21-18(23)26/h3-8,11H,9-10H2,1-2H3,(H,20,24)(H,21,25,26).
What are the key properties of N-[6-(dimethylamino)-3-pyridinyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide?
N-[6-(dimethylamino)-3-pyridinyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide has a molecular weight of 353.38 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dimethylamino)-3-pyridinyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide is sourced from PubChem (CID 30296173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).