N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide

C24H40N6O4 — CID 55755418

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
SMILESCCCCn1c(N)c(N(CCC(C)C)C(=O)C2CCN(C(=O)N3CCCC3)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C24H40N6O4/c1-4-5-13-30-20(25)19(21(31)26-23(30)33)29(16-8-17(2)3)22(32)18-9-14-28(15-10-18)24(34)27-11-6-7-12-27/h17-18H,4-16,25H2,1-3H3,(H,26,31,33)
InChIKeyBFLMHVUZHCBHPC-UHFFFAOYSA-N
MW476.62 g/mol
LogP2.23
Rot. Bonds8

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide (PubChem CID 55755418) has the molecular formula C24H40N6O4 and a molecular weight of 476.62 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
PubChem CID55755418
Molecular FormulaC24H40N6O4
Molecular Weight476.62 g/mol
Exact Mass476.31
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
SMILESCCCCn1c(N)c(N(CCC(C)C)C(=O)C2CCN(C(=O)N3CCCC3)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C24H40N6O4/c1-4-5-13-30-20(25)19(21(31)26-23(30)33)29(16-8-17(2)3)22(32)18-9-14-28(15-10-18)24(34)27-11-6-7-12-27/h17-18H,4-16,25H2,1-3H3,(H,26,31,33)
InChIKeyBFLMHVUZHCBHPC-UHFFFAOYSA-N
XLogP2.23
TPSA124.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.62
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide (CID 55755418) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide is CCCCn1c(N)c(N(CCC(C)C)C(=O)C2CCN(C(=O)N3CCCC3)CC2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The InChIKey is BFLMHVUZHCBHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N6O4/c1-4-5-13-30-20(25)19(21(31)26-23(30)33)29(16-8-17(2)3)22(32)18-9-14-28(15-10-18)24(34)27-11-6-7-12-27/h17-18H,4-16,25H2,1-3H3,(H,26,31,33).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide has a molecular weight of 476.62 g/mol, XLogP of 2.23, 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)-N-(3-methylbutyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 55755418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).