N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-1H-indole-2-carboxamide

C22H29N5O3 — CID 52896459

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-1H-indole-2-carboxamide
SMILESCCCCn1c(N)c(N(CCC(C)C)C(=O)c2cc3ccccc3[nH]2)c(=O)[nH]c1=O
InChIInChI=1S/C22H29N5O3/c1-4-5-11-27-19(23)18(20(28)25-22(27)30)26(12-10-14(2)3)21(29)17-13-15-8-6-7-9-16(15)24-17/h6-9,13-14,24H,4-5,10-12,23H2,1-3H3,(H,25,28,30)
InChIKeyLHCZQMDXOIGXHU-UHFFFAOYSA-N
MW411.51 g/mol
LogP3.09
Rot. Bonds8

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-1H-indole-2-carboxamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-1H-indole-2-carboxamide (PubChem CID 52896459) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-1H-indole-2-carboxamide
PubChem CID52896459
Molecular FormulaC22H29N5O3
Molecular Weight411.51 g/mol
Exact Mass411.23
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-1H-indole-2-carboxamide
SMILESCCCCn1c(N)c(N(CCC(C)C)C(=O)c2cc3ccccc3[nH]2)c(=O)[nH]c1=O
InChIInChI=1S/C22H29N5O3/c1-4-5-11-27-19(23)18(20(28)25-22(27)30)26(12-10-14(2)3)21(29)17-13-15-8-6-7-9-16(15)24-17/h6-9,13-14,24H,4-5,10-12,23H2,1-3H3,(H,25,28,30)
InChIKeyLHCZQMDXOIGXHU-UHFFFAOYSA-N
XLogP3.09
TPSA116.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-2-oxochromene-3-carboxamide
CID 26185426
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N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide
CID 26185355
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2,4-dichloro-N-(3-methylbutyl)benzamide
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N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-3-phenylbut-2-enamide
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N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4,6-dichloro-N-(3-methylbutyl)pyridine-2-carboxamide
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N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-methyl-N-(2-methylpropyl)benzamide
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N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(diethylsulfamoyl)-N-(3-methylbutyl)benzamide
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N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-1-benzofuran-2-carboxamide
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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)-1H-indole-2-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-1H-indole-2-carboxamide (CID 52896459) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-1H-indole-2-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-1H-indole-2-carboxamide is CCCCn1c(N)c(N(CCC(C)C)C(=O)c2cc3ccccc3[nH]2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-1H-indole-2-carboxamide?
The InChIKey is LHCZQMDXOIGXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3/c1-4-5-11-27-19(23)18(20(28)25-22(27)30)26(12-10-14(2)3)21(29)17-13-15-8-6-7-9-16(15)24-17/h6-9,13-14,24H,4-5,10-12,23H2,1-3H3,(H,25,28,30).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-1H-indole-2-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-1H-indole-2-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 3.09, 8 rotatable bonds, 3 hydrogen bond donors, and 5 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)-1H-indole-2-carboxamide is sourced from PubChem (CID 52896459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).