N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butylpyridine-4-carboxamide

C17H23N5O3 — CID 9114858

IUPACN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butylpyridine-4-carboxamide
SMILESCCCCN(C(=O)c1ccncc1)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C17H23N5O3/c1-3-5-11-21(16(24)12-6-8-19-9-7-12)13-14(18)22(10-4-2)17(25)20-15(13)23/h6-9H,3-5,10-11,18H2,1-2H3,(H,20,23,25)
InChIKeyJQAFUVGKONKVSW-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.37
Rot. Bonds7

About N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butylpyridine-4-carboxamide

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butylpyridine-4-carboxamide (PubChem CID 9114858) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butylpyridine-4-carboxamide
PubChem CID9114858
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butylpyridine-4-carboxamide
SMILESCCCCN(C(=O)c1ccncc1)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C17H23N5O3/c1-3-5-11-21(16(24)12-6-8-19-9-7-12)13-14(18)22(10-4-2)17(25)20-15(13)23/h6-9H,3-5,10-11,18H2,1-2H3,(H,20,23,25)
InChIKeyJQAFUVGKONKVSW-UHFFFAOYSA-N
XLogP1.37
TPSA114.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butylpyridine-4-carboxamide?
The IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butylpyridine-4-carboxamide (CID 9114858) is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butylpyridine-4-carboxamide.
What is the SMILES notation for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butylpyridine-4-carboxamide?
The canonical SMILES for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butylpyridine-4-carboxamide is CCCCN(C(=O)c1ccncc1)c1c(N)n(CCC)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butylpyridine-4-carboxamide?
The InChIKey is JQAFUVGKONKVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-3-5-11-21(16(24)12-6-8-19-9-7-12)13-14(18)22(10-4-2)17(25)20-15(13)23/h6-9H,3-5,10-11,18H2,1-2H3,(H,20,23,25).
What are the key properties of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butylpyridine-4-carboxamide?
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butylpyridine-4-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butylpyridine-4-carboxamide is sourced from PubChem (CID 9114858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).