N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(3,5-dimethylpyrazol-1-yl)-N-ethylbenzamide

C22H28N6O3 — CID 29310153

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(3,5-dimethylpyrazol-1-yl)-N-ethylbenzamide
SMILESCCCCn1c(N)c(N(CC)C(=O)c2ccc(-n3nc(C)cc3C)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C22H28N6O3/c1-5-7-12-27-19(23)18(20(29)24-22(27)31)26(6-2)21(30)16-8-10-17(11-9-16)28-15(4)13-14(3)25-28/h8-11,13H,5-7,12,23H2,1-4H3,(H,24,29,31)
InChIKeyWWUWPTKOTWZXRC-UHFFFAOYSA-N
MW424.51 g/mol
LogP2.39
Rot. Bonds7

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(3,5-dimethylpyrazol-1-yl)-N-ethylbenzamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(3,5-dimethylpyrazol-1-yl)-N-ethylbenzamide (PubChem CID 29310153) has the molecular formula C22H28N6O3 and a molecular weight of 424.51 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(3,5-dimethylpyrazol-1-yl)-N-ethylbenzamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(3,5-dimethylpyrazol-1-yl)-N-ethylbenzamide
PubChem CID29310153
Molecular FormulaC22H28N6O3
Molecular Weight424.51 g/mol
Exact Mass424.22
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(3,5-dimethylpyrazol-1-yl)-N-ethylbenzamide
SMILESCCCCn1c(N)c(N(CC)C(=O)c2ccc(-n3nc(C)cc3C)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C22H28N6O3/c1-5-7-12-27-19(23)18(20(29)24-22(27)31)26(6-2)21(30)16-8-10-17(11-9-16)28-15(4)13-14(3)25-28/h8-11,13H,5-7,12,23H2,1-4H3,(H,24,29,31)
InChIKeyWWUWPTKOTWZXRC-UHFFFAOYSA-N
XLogP2.39
TPSA119.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)benzamide
CID 26195804
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)-3-bromo-N-ethylbenzamide
CID 7925744
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-4-pyrazol-1-ylbenzamide
CID 30969804
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-ethylpyridine-3-carboxamide
CID 29309908
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)-4-methyl-N-(2-methylpropyl)benzamide
CID 8922741
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-ethylacetamide
CID 55754402
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)-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
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 30659791

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(3,5-dimethylpyrazol-1-yl)-N-ethylbenzamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(3,5-dimethylpyrazol-1-yl)-N-ethylbenzamide (CID 29310153) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(3,5-dimethylpyrazol-1-yl)-N-ethylbenzamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(3,5-dimethylpyrazol-1-yl)-N-ethylbenzamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(3,5-dimethylpyrazol-1-yl)-N-ethylbenzamide is CCCCn1c(N)c(N(CC)C(=O)c2ccc(-n3nc(C)cc3C)cc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(3,5-dimethylpyrazol-1-yl)-N-ethylbenzamide?
The InChIKey is WWUWPTKOTWZXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O3/c1-5-7-12-27-19(23)18(20(29)24-22(27)31)26(6-2)21(30)16-8-10-17(11-9-16)28-15(4)13-14(3)25-28/h8-11,13H,5-7,12,23H2,1-4H3,(H,24,29,31).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(3,5-dimethylpyrazol-1-yl)-N-ethylbenzamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(3,5-dimethylpyrazol-1-yl)-N-ethylbenzamide has a molecular weight of 424.51 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(3,5-dimethylpyrazol-1-yl)-N-ethylbenzamide is sourced from PubChem (CID 29310153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).