N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-6-oxo-1H-pyridine-3-carboxamide

C19H19N5O4 — CID 9115374

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-6-oxo-1H-pyridine-3-carboxamide
SMILESCCN(C(=O)c1ccc(=O)[nH]c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H19N5O4/c1-2-23(18(27)13-8-9-14(25)21-10-13)15-16(20)24(19(28)22-17(15)26)11-12-6-4-3-5-7-12/h3-10H,2,11,20H2,1H3,(H,21,25)(H,22,26,28)
InChIKeyYWNBMBFYMCGICF-UHFFFAOYSA-N
MW381.39 g/mol
LogP0.52
Rot. Bonds5

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-6-oxo-1H-pyridine-3-carboxamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 9115374) has the molecular formula C19H19N5O4 and a molecular weight of 381.39 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-6-oxo-1H-pyridine-3-carboxamide
PubChem CID9115374
Molecular FormulaC19H19N5O4
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-6-oxo-1H-pyridine-3-carboxamide
SMILESCCN(C(=O)c1ccc(=O)[nH]c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H19N5O4/c1-2-23(18(27)13-8-9-14(25)21-10-13)15-16(20)24(19(28)22-17(15)26)11-12-6-4-3-5-7-12/h3-10H,2,11,20H2,1H3,(H,21,25)(H,22,26,28)
InChIKeyYWNBMBFYMCGICF-UHFFFAOYSA-N
XLogP0.52
TPSA134.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-6-oxo-1H-pyridine-3-carboxamide (CID 9115374) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-6-oxo-1H-pyridine-3-carboxamide is CCN(C(=O)c1ccc(=O)[nH]c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is YWNBMBFYMCGICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4/c1-2-23(18(27)13-8-9-14(25)21-10-13)15-16(20)24(19(28)22-17(15)26)11-12-6-4-3-5-7-12/h3-10H,2,11,20H2,1H3,(H,21,25)(H,22,26,28).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-6-oxo-1H-pyridine-3-carboxamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 381.39 g/mol, XLogP of 0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 9115374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).