N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-butylsulfonyl-N-ethylpiperidine-4-carboxamide

C20H35N5O5S — CID 55770380

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-butylsulfonyl-N-ethylpiperidine-4-carboxamide
SMILESCCCCn1c(N)c(N(CC)C(=O)C2CCN(S(=O)(=O)CCCC)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C20H35N5O5S/c1-4-7-11-25-17(21)16(18(26)22-20(25)28)24(6-3)19(27)15-9-12-23(13-10-15)31(29,30)14-8-5-2/h15H,4-14,21H2,1-3H3,(H,22,26,28)
InChIKeyJAIUWVHOFOXCFD-UHFFFAOYSA-N
MW457.60 g/mol
LogP1.11
Rot. Bonds10

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-butylsulfonyl-N-ethylpiperidine-4-carboxamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-butylsulfonyl-N-ethylpiperidine-4-carboxamide (PubChem CID 55770380) has the molecular formula C20H35N5O5S and a molecular weight of 457.60 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-butylsulfonyl-N-ethylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-butylsulfonyl-N-ethylpiperidine-4-carboxamide
PubChem CID55770380
Molecular FormulaC20H35N5O5S
Molecular Weight457.60 g/mol
Exact Mass457.24
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-butylsulfonyl-N-ethylpiperidine-4-carboxamide
SMILESCCCCn1c(N)c(N(CC)C(=O)C2CCN(S(=O)(=O)CCCC)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C20H35N5O5S/c1-4-7-11-25-17(21)16(18(26)22-20(25)28)24(6-3)19(27)15-9-12-23(13-10-15)31(29,30)14-8-5-2/h15H,4-14,21H2,1-3H3,(H,22,26,28)
InChIKeyJAIUWVHOFOXCFD-UHFFFAOYSA-N
XLogP1.11
TPSA138.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.60
LogP ≤ 51.11
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)-1-butylsulfonyl-N-ethylpiperidine-4-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-butylsulfonyl-N-ethylpiperidine-4-carboxamide (CID 55770380) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-butylsulfonyl-N-ethylpiperidine-4-carboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-butylsulfonyl-N-ethylpiperidine-4-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-butylsulfonyl-N-ethylpiperidine-4-carboxamide is CCCCn1c(N)c(N(CC)C(=O)C2CCN(S(=O)(=O)CCCC)CC2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-butylsulfonyl-N-ethylpiperidine-4-carboxamide?
The InChIKey is JAIUWVHOFOXCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5O5S/c1-4-7-11-25-17(21)16(18(26)22-20(25)28)24(6-3)19(27)15-9-12-23(13-10-15)31(29,30)14-8-5-2/h15H,4-14,21H2,1-3H3,(H,22,26,28).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-butylsulfonyl-N-ethylpiperidine-4-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-butylsulfonyl-N-ethylpiperidine-4-carboxamide has a molecular weight of 457.60 g/mol, XLogP of 1.11, 10 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)-1-butylsulfonyl-N-ethylpiperidine-4-carboxamide is sourced from PubChem (CID 55770380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).