N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethylpyridine-4-carboxamide

C19H19N5O3 — CID 9115460

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethylpyridine-4-carboxamide
SMILESCCN(C(=O)c1ccncc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H19N5O3/c1-2-23(18(26)14-8-10-21-11-9-14)15-16(20)24(19(27)22-17(15)25)12-13-6-4-3-5-7-13/h3-11H,2,12,20H2,1H3,(H,22,25,27)
InChIKeyMQGJADLNJRXTGY-UHFFFAOYSA-N
MW365.39 g/mol
LogP1.23
Rot. Bonds5

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethylpyridine-4-carboxamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethylpyridine-4-carboxamide (PubChem CID 9115460) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethylpyridine-4-carboxamide
PubChem CID9115460
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethylpyridine-4-carboxamide
SMILESCCN(C(=O)c1ccncc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H19N5O3/c1-2-23(18(26)14-8-10-21-11-9-14)15-16(20)24(19(27)22-17(15)25)12-13-6-4-3-5-7-13/h3-11H,2,12,20H2,1H3,(H,22,25,27)
InChIKeyMQGJADLNJRXTGY-UHFFFAOYSA-N
XLogP1.23
TPSA114.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.23
H-Bond Donors ≤ 52
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-ethylpyridine-4-carboxamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethylpyridine-4-carboxamide (CID 9115460) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethylpyridine-4-carboxamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethylpyridine-4-carboxamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethylpyridine-4-carboxamide is CCN(C(=O)c1ccncc1)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-ethylpyridine-4-carboxamide?
The InChIKey is MQGJADLNJRXTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-2-23(18(26)14-8-10-21-11-9-14)15-16(20)24(19(27)22-17(15)25)12-13-6-4-3-5-7-13/h3-11H,2,12,20H2,1H3,(H,22,25,27).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethylpyridine-4-carboxamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethylpyridine-4-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 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-ethylpyridine-4-carboxamide is sourced from PubChem (CID 9115460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).