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

C16H20BrN5O3 — CID 29309908

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-ethylpyridine-3-carboxamide
SMILESCCCCn1c(N)c(N(CC)C(=O)c2cncc(Br)c2)c(=O)[nH]c1=O
InChIInChI=1S/C16H20BrN5O3/c1-3-5-6-22-13(18)12(14(23)20-16(22)25)21(4-2)15(24)10-7-11(17)9-19-8-10/h7-9H,3-6,18H2,1-2H3,(H,20,23,25)
InChIKeyHQKFVNLTXBDRDW-UHFFFAOYSA-N
MW410.27 g/mol
LogP1.74
Rot. Bonds6

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

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-ethylpyridine-3-carboxamide (PubChem CID 29309908) has the molecular formula C16H20BrN5O3 and a molecular weight of 410.27 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-ethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-ethylpyridine-3-carboxamide
PubChem CID29309908
Molecular FormulaC16H20BrN5O3
Molecular Weight410.27 g/mol
Exact Mass409.07
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-ethylpyridine-3-carboxamide
SMILESCCCCn1c(N)c(N(CC)C(=O)c2cncc(Br)c2)c(=O)[nH]c1=O
InChIInChI=1S/C16H20BrN5O3/c1-3-5-6-22-13(18)12(14(23)20-16(22)25)21(4-2)15(24)10-7-11(17)9-19-8-10/h7-9H,3-6,18H2,1-2H3,(H,20,23,25)
InChIKeyHQKFVNLTXBDRDW-UHFFFAOYSA-N
XLogP1.74
TPSA114.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.27
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-butylpyridine-3-carboxamide
CID 16550113
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-bromo-N-ethylbenzamide
CID 7925744
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-chloro-N-ethylpyridine-3-carboxamide
CID 29309904
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(3,5-dimethylpyrazol-1-yl)-N-ethylbenzamide
CID 29310153
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-6-(N-methylanilino)pyridine-3-carboxamide
CID 112830400
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-5-methylfuran-2-carboxamide
CID 18077285
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,5-dimethyl-N-(2-methylpropyl)benzamide
CID 8922762
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,5-diethyl-4-methylthiophene-2-carboxamide
CID 51155080
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-6-methylpyridine-3-carboxamide
CID 30289922
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 32620486
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3,4-difluorobenzamide
CID 30434613
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-methylfuran-3-carboxamide
CID 18196708

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-ethylpyridine-3-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-ethylpyridine-3-carboxamide (CID 29309908) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-ethylpyridine-3-carboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-ethylpyridine-3-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-ethylpyridine-3-carboxamide is CCCCn1c(N)c(N(CC)C(=O)c2cncc(Br)c2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-ethylpyridine-3-carboxamide?
The InChIKey is HQKFVNLTXBDRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN5O3/c1-3-5-6-22-13(18)12(14(23)20-16(22)25)21(4-2)15(24)10-7-11(17)9-19-8-10/h7-9H,3-6,18H2,1-2H3,(H,20,23,25).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-ethylpyridine-3-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-ethylpyridine-3-carboxamide has a molecular weight of 410.27 g/mol, XLogP of 1.74, 6 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-ethylpyridine-3-carboxamide is sourced from PubChem (CID 29309908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).