N-[3-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]propyl]-5-methyl-1-(2-methylpropyl)indole-2-carboxamide

C22H26FN5O4 — CID 177371913

IUPACN-[3-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]propyl]-5-methyl-1-(2-methylpropyl)indole-2-carboxamide
SMILESCc1ccc2c(c1)cc(C(=O)NCCCNC(=O)n1cc(F)c(=O)[nH]c1=O)n2CC(C)C
InChIInChI=1S/C22H26FN5O4/c1-13(2)11-27-17-6-5-14(3)9-15(17)10-18(27)20(30)24-7-4-8-25-21(31)28-12-16(23)19(29)26-22(28)32/h5-6,9-10,12-13H,4,7-8,11H2,1-3H3,(H,24,30)(H,25,31)(H,26,29,32)
InChIKeyYHWUKRCQVMSDIV-UHFFFAOYSA-N
MW443.48 g/mol
LogP1.97
Rot. Bonds7

About N-[3-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]propyl]-5-methyl-1-(2-methylpropyl)indole-2-carboxamide

N-[3-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]propyl]-5-methyl-1-(2-methylpropyl)indole-2-carboxamide (PubChem CID 177371913) has the molecular formula C22H26FN5O4 and a molecular weight of 443.48 g/mol. Its IUPAC name is N-[3-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]propyl]-5-methyl-1-(2-methylpropyl)indole-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]propyl]-5-methyl-1-(2-methylpropyl)indole-2-carboxamide
PubChem CID177371913
Molecular FormulaC22H26FN5O4
Molecular Weight443.48 g/mol
Exact Mass443.20
IUPAC NameN-[3-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]propyl]-5-methyl-1-(2-methylpropyl)indole-2-carboxamide
SMILESCc1ccc2c(c1)cc(C(=O)NCCCNC(=O)n1cc(F)c(=O)[nH]c1=O)n2CC(C)C
InChIInChI=1S/C22H26FN5O4/c1-13(2)11-27-17-6-5-14(3)9-15(17)10-18(27)20(30)24-7-4-8-25-21(31)28-12-16(23)19(29)26-22(28)32/h5-6,9-10,12-13H,4,7-8,11H2,1-3H3,(H,24,30)(H,25,31)(H,26,29,32)
InChIKeyYHWUKRCQVMSDIV-UHFFFAOYSA-N
XLogP1.97
TPSA117.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]propyl]-5-methyl-1-(2-methylpropyl)indole-2-carboxamide?
The IUPAC name of N-[3-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]propyl]-5-methyl-1-(2-methylpropyl)indole-2-carboxamide (CID 177371913) is N-[3-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]propyl]-5-methyl-1-(2-methylpropyl)indole-2-carboxamide.
What is the SMILES notation for N-[3-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]propyl]-5-methyl-1-(2-methylpropyl)indole-2-carboxamide?
The canonical SMILES for N-[3-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]propyl]-5-methyl-1-(2-methylpropyl)indole-2-carboxamide is Cc1ccc2c(c1)cc(C(=O)NCCCNC(=O)n1cc(F)c(=O)[nH]c1=O)n2CC(C)C.
What is the InChIKey of N-[3-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]propyl]-5-methyl-1-(2-methylpropyl)indole-2-carboxamide?
The InChIKey is YHWUKRCQVMSDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O4/c1-13(2)11-27-17-6-5-14(3)9-15(17)10-18(27)20(30)24-7-4-8-25-21(31)28-12-16(23)19(29)26-22(28)32/h5-6,9-10,12-13H,4,7-8,11H2,1-3H3,(H,24,30)(H,25,31)(H,26,29,32).
What are the key properties of N-[3-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]propyl]-5-methyl-1-(2-methylpropyl)indole-2-carboxamide?
N-[3-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]propyl]-5-methyl-1-(2-methylpropyl)indole-2-carboxamide has a molecular weight of 443.48 g/mol, XLogP of 1.97, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]propyl]-5-methyl-1-(2-methylpropyl)indole-2-carboxamide is sourced from PubChem (CID 177371913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).