N-cyclopropyl-N-(furan-2-ylmethyl)-6-nitro-1H-indole-3-carboxamide

C17H15N3O4 — CID 75479572

IUPACN-cyclopropyl-N-(furan-2-ylmethyl)-6-nitro-1H-indole-3-carboxamide
SMILESO=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N(Cc1ccco1)C1CC1
InChIInChI=1S/C17H15N3O4/c21-17(19(11-3-4-11)10-13-2-1-7-24-13)15-9-18-16-8-12(20(22)23)5-6-14(15)16/h1-2,5-9,11,18H,3-4,10H2
InChIKeySZMRNTWTDRXCBA-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.47
Rot. Bonds5

About N-cyclopropyl-N-(furan-2-ylmethyl)-6-nitro-1H-indole-3-carboxamide

N-cyclopropyl-N-(furan-2-ylmethyl)-6-nitro-1H-indole-3-carboxamide (PubChem CID 75479572) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is N-cyclopropyl-N-(furan-2-ylmethyl)-6-nitro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(furan-2-ylmethyl)-6-nitro-1H-indole-3-carboxamide
PubChem CID75479572
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC NameN-cyclopropyl-N-(furan-2-ylmethyl)-6-nitro-1H-indole-3-carboxamide
SMILESO=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N(Cc1ccco1)C1CC1
InChIInChI=1S/C17H15N3O4/c21-17(19(11-3-4-11)10-13-2-1-7-24-13)15-9-18-16-8-12(20(22)23)5-6-14(15)16/h1-2,5-9,11,18H,3-4,10H2
InChIKeySZMRNTWTDRXCBA-UHFFFAOYSA-N
XLogP3.47
TPSA92.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-2-fluoro-N-(furan-2-ylmethyl)-4-nitrobenzamide
CID 87024565
cyclopropyl-(6-nitro-1H-indol-3-yl)methanone
CID 43308968
N-(1,1-dioxothiolan-3-yl)-N-[(4-methoxyphenyl)methyl]-6-nitro-1H-indole-3-carboxamide
CID 47012427
2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-nitro-1H-pyrrol-2-yl)ethanone
CID 62031445
2-amino-N-cyclopropyl-N-(furan-2-ylmethyl)-5-hydroxybenzamide
CID 107074445
N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
CID 47022966
(6-nitro-1H-indol-3-yl)-(oxan-4-yl)methanone
CID 62907561
(2-methylcyclopropyl)-(6-nitro-1H-indol-3-yl)methanone
CID 43308958
oxan-2-ylmethyl 6-nitro-1H-indole-3-carboxylate
CID 56809309
3-[cyclopropyl(furan-2-ylmethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369452
4-amino-N-cyclopropyl-N-(furan-2-ylmethyl)-3-hydroxybenzamide
CID 107074444
N-cyclopropyl-5-fluoro-N-(furan-2-ylmethyl)-2-hydroxybenzamide
CID 115299012

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(furan-2-ylmethyl)-6-nitro-1H-indole-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-(furan-2-ylmethyl)-6-nitro-1H-indole-3-carboxamide (CID 75479572) is N-cyclopropyl-N-(furan-2-ylmethyl)-6-nitro-1H-indole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(furan-2-ylmethyl)-6-nitro-1H-indole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(furan-2-ylmethyl)-6-nitro-1H-indole-3-carboxamide is O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N(Cc1ccco1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(furan-2-ylmethyl)-6-nitro-1H-indole-3-carboxamide?
The InChIKey is SZMRNTWTDRXCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c21-17(19(11-3-4-11)10-13-2-1-7-24-13)15-9-18-16-8-12(20(22)23)5-6-14(15)16/h1-2,5-9,11,18H,3-4,10H2.
What are the key properties of N-cyclopropyl-N-(furan-2-ylmethyl)-6-nitro-1H-indole-3-carboxamide?
N-cyclopropyl-N-(furan-2-ylmethyl)-6-nitro-1H-indole-3-carboxamide has a molecular weight of 325.32 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(furan-2-ylmethyl)-6-nitro-1H-indole-3-carboxamide is sourced from PubChem (CID 75479572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).