N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-butylpyridine-3-carboxamide

C18H24BrN5O3 — CID 16550113

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-butylpyridine-3-carboxamide
SMILESCCCCN(C(=O)c1cncc(Br)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C18H24BrN5O3/c1-3-5-7-23(17(26)12-9-13(19)11-21-10-12)14-15(20)24(8-6-4-2)18(27)22-16(14)25/h9-11H,3-8,20H2,1-2H3,(H,22,25,27)
InChIKeyCISWZUQAIBDZCK-UHFFFAOYSA-N
MW438.33 g/mol
LogP2.52
Rot. Bonds8

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-butylpyridine-3-carboxamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-butylpyridine-3-carboxamide (PubChem CID 16550113) has the molecular formula C18H24BrN5O3 and a molecular weight of 438.33 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-butylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-butylpyridine-3-carboxamide
PubChem CID16550113
Molecular FormulaC18H24BrN5O3
Molecular Weight438.33 g/mol
Exact Mass437.11
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-butylpyridine-3-carboxamide
SMILESCCCCN(C(=O)c1cncc(Br)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C18H24BrN5O3/c1-3-5-7-23(17(26)12-9-13(19)11-21-10-12)14-15(20)24(8-6-4-2)18(27)22-16(14)25/h9-11H,3-8,20H2,1-2H3,(H,22,25,27)
InChIKeyCISWZUQAIBDZCK-UHFFFAOYSA-N
XLogP2.52
TPSA114.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.33
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butylpyrazine-2-carboxamide
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N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3,4-difluorobenzamide
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N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-4-pyrazol-1-ylbenzamide
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N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2,3-dihydro-1,4-dioxine-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-butylpyridine-3-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-butylpyridine-3-carboxamide (CID 16550113) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-butylpyridine-3-carboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-butylpyridine-3-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-butylpyridine-3-carboxamide is CCCCN(C(=O)c1cncc(Br)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-butylpyridine-3-carboxamide?
The InChIKey is CISWZUQAIBDZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrN5O3/c1-3-5-7-23(17(26)12-9-13(19)11-21-10-12)14-15(20)24(8-6-4-2)18(27)22-16(14)25/h9-11H,3-8,20H2,1-2H3,(H,22,25,27).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-butylpyridine-3-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-butylpyridine-3-carboxamide has a molecular weight of 438.33 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-butylpyridine-3-carboxamide is sourced from PubChem (CID 16550113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).