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

C19H20FN5O4 — CID 177371910

IUPAC1-ethyl-N-[3-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]propyl]indole-2-carboxamide
SMILESCCn1c(C(=O)NCCCNC(=O)n2cc(F)c(=O)[nH]c2=O)cc2ccccc21
InChIInChI=1S/C19H20FN5O4/c1-2-24-14-7-4-3-6-12(14)10-15(24)17(27)21-8-5-9-22-18(28)25-11-13(20)16(26)23-19(25)29/h3-4,6-7,10-11H,2,5,8-9H2,1H3,(H,21,27)(H,22,28)(H,23,26,29)
InChIKeySNJXBRHNYDZGKX-UHFFFAOYSA-N
MW401.40 g/mol
LogP1.03
Rot. Bonds6

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

1-ethyl-N-[3-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]propyl]indole-2-carboxamide (PubChem CID 177371910) has the molecular formula C19H20FN5O4 and a molecular weight of 401.40 g/mol. Its IUPAC name is 1-ethyl-N-[3-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]propyl]indole-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[3-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]propyl]indole-2-carboxamide
PubChem CID177371910
Molecular FormulaC19H20FN5O4
Molecular Weight401.40 g/mol
Exact Mass401.15
IUPAC Name1-ethyl-N-[3-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]propyl]indole-2-carboxamide
SMILESCCn1c(C(=O)NCCCNC(=O)n2cc(F)c(=O)[nH]c2=O)cc2ccccc21
InChIInChI=1S/C19H20FN5O4/c1-2-24-14-7-4-3-6-12(14)10-15(24)17(27)21-8-5-9-22-18(28)25-11-13(20)16(26)23-19(25)29/h3-4,6-7,10-11H,2,5,8-9H2,1H3,(H,21,27)(H,22,28)(H,23,26,29)
InChIKeySNJXBRHNYDZGKX-UHFFFAOYSA-N
XLogP1.03
TPSA117.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.40
LogP ≤ 51.03
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 1-ethyl-N-[3-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]propyl]indole-2-carboxamide?
The IUPAC name of 1-ethyl-N-[3-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]propyl]indole-2-carboxamide (CID 177371910) is 1-ethyl-N-[3-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]propyl]indole-2-carboxamide.
What is the SMILES notation for 1-ethyl-N-[3-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]propyl]indole-2-carboxamide?
The canonical SMILES for 1-ethyl-N-[3-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]propyl]indole-2-carboxamide is CCn1c(C(=O)NCCCNC(=O)n2cc(F)c(=O)[nH]c2=O)cc2ccccc21.
What is the InChIKey of 1-ethyl-N-[3-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]propyl]indole-2-carboxamide?
The InChIKey is SNJXBRHNYDZGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O4/c1-2-24-14-7-4-3-6-12(14)10-15(24)17(27)21-8-5-9-22-18(28)25-11-13(20)16(26)23-19(25)29/h3-4,6-7,10-11H,2,5,8-9H2,1H3,(H,21,27)(H,22,28)(H,23,26,29).
What are the key properties of 1-ethyl-N-[3-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]propyl]indole-2-carboxamide?
1-ethyl-N-[3-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]propyl]indole-2-carboxamide has a molecular weight of 401.40 g/mol, XLogP of 1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[3-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]propyl]indole-2-carboxamide is sourced from PubChem (CID 177371910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).