N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-4-pyrazol-1-ylbenzamide

C19H22N6O3 — CID 9116881

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-4-pyrazol-1-ylbenzamide
SMILESCCCCn1c(N)c(N(C)C(=O)c2ccc(-n3cccn3)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H22N6O3/c1-3-4-11-24-16(20)15(17(26)22-19(24)28)23(2)18(27)13-6-8-14(9-7-13)25-12-5-10-21-25/h5-10,12H,3-4,11,20H2,1-2H3,(H,22,26,28)
InChIKeyKNKDPYRDJYKPEX-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.38
Rot. Bonds6

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-4-pyrazol-1-ylbenzamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-4-pyrazol-1-ylbenzamide (PubChem CID 9116881) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-4-pyrazol-1-ylbenzamide
PubChem CID9116881
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-4-pyrazol-1-ylbenzamide
SMILESCCCCn1c(N)c(N(C)C(=O)c2ccc(-n3cccn3)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H22N6O3/c1-3-4-11-24-16(20)15(17(26)22-19(24)28)23(2)18(27)13-6-8-14(9-7-13)25-12-5-10-21-25/h5-10,12H,3-4,11,20H2,1-2H3,(H,22,26,28)
InChIKeyKNKDPYRDJYKPEX-UHFFFAOYSA-N
XLogP1.38
TPSA119.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-4-pyrazol-1-ylbenzamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-4-pyrazol-1-ylbenzamide (CID 9116881) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-4-pyrazol-1-ylbenzamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-4-pyrazol-1-ylbenzamide is CCCCn1c(N)c(N(C)C(=O)c2ccc(-n3cccn3)cc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-4-pyrazol-1-ylbenzamide?
The InChIKey is KNKDPYRDJYKPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-3-4-11-24-16(20)15(17(26)22-19(24)28)23(2)18(27)13-6-8-14(9-7-13)25-12-5-10-21-25/h5-10,12H,3-4,11,20H2,1-2H3,(H,22,26,28).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-4-pyrazol-1-ylbenzamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-4-pyrazol-1-ylbenzamide has a molecular weight of 382.42 g/mol, XLogP of 1.38, 6 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)-N-methyl-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 9116881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).