N-methyl-5-[(1-prop-2-enoylpiperidine-4-carbonyl)amino]-1H-indole-2-carboxamide

C19H22N4O3 — CID 166405184

IUPACN-methyl-5-[(1-prop-2-enoylpiperidine-4-carbonyl)amino]-1H-indole-2-carboxamide
SMILESC=CC(=O)N1CCC(C(=O)Nc2ccc3[nH]c(C(=O)NC)cc3c2)CC1
InChIInChI=1S/C19H22N4O3/c1-3-17(24)23-8-6-12(7-9-23)18(25)21-14-4-5-15-13(10-14)11-16(22-15)19(26)20-2/h3-5,10-12,22H,1,6-9H2,2H3,(H,20,26)(H,21,25)
InChIKeyFOVUCFXKBJFEBL-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.89
Rot. Bonds4

About N-methyl-5-[(1-prop-2-enoylpiperidine-4-carbonyl)amino]-1H-indole-2-carboxamide

N-methyl-5-[(1-prop-2-enoylpiperidine-4-carbonyl)amino]-1H-indole-2-carboxamide (PubChem CID 166405184) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-methyl-5-[(1-prop-2-enoylpiperidine-4-carbonyl)amino]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[(1-prop-2-enoylpiperidine-4-carbonyl)amino]-1H-indole-2-carboxamide
PubChem CID166405184
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-methyl-5-[(1-prop-2-enoylpiperidine-4-carbonyl)amino]-1H-indole-2-carboxamide
SMILESC=CC(=O)N1CCC(C(=O)Nc2ccc3[nH]c(C(=O)NC)cc3c2)CC1
InChIInChI=1S/C19H22N4O3/c1-3-17(24)23-8-6-12(7-9-23)18(25)21-14-4-5-15-13(10-14)11-16(22-15)19(26)20-2/h3-5,10-12,22H,1,6-9H2,2H3,(H,20,26)(H,21,25)
InChIKeyFOVUCFXKBJFEBL-UHFFFAOYSA-N
XLogP1.89
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromo-4-nitrophenyl)-1-prop-2-enoylpiperidine-4-carboxamide
CID 166418599
1-acetyl-N-(1H-indol-5-yl)piperidine-4-carboxamide
CID 110744988
N-[2-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-indol-5-yl]oxane-4-carboxamide
CID 70848277
5-[(3,4-dimethyl-5-oxopiperazine-1-carbonyl)amino]-N-methyl-1H-indole-2-carboxamide
CID 122159526
N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1-prop-2-enoylpiperidine-4-carboxamide
CID 166405559
5-amino-N-methyl-1H-indole-2-carboxamide
CID 63117746
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-prop-2-enoylpiperidine-4-carboxamide
CID 166405576
N-(2-methyl-1H-indol-5-yl)oxane-4-carboxamide
CID 97185524
1-benzyl-N-(2-methyl-1H-indol-5-yl)piperidine-4-carboxamide
CID 51118445
4-methoxy-N-(2-methyl-1H-indol-5-yl)cyclohexane-1-carboxamide
CID 112526211
5-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]-1H-indole-2-carboxamide
CID 154844070
N-(2-iodophenyl)-1-prop-2-enoylpiperidine-4-carboxamide
CID 166311766

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(1-prop-2-enoylpiperidine-4-carbonyl)amino]-1H-indole-2-carboxamide?
The IUPAC name of N-methyl-5-[(1-prop-2-enoylpiperidine-4-carbonyl)amino]-1H-indole-2-carboxamide (CID 166405184) is N-methyl-5-[(1-prop-2-enoylpiperidine-4-carbonyl)amino]-1H-indole-2-carboxamide.
What is the SMILES notation for N-methyl-5-[(1-prop-2-enoylpiperidine-4-carbonyl)amino]-1H-indole-2-carboxamide?
The canonical SMILES for N-methyl-5-[(1-prop-2-enoylpiperidine-4-carbonyl)amino]-1H-indole-2-carboxamide is C=CC(=O)N1CCC(C(=O)Nc2ccc3[nH]c(C(=O)NC)cc3c2)CC1.
What is the InChIKey of N-methyl-5-[(1-prop-2-enoylpiperidine-4-carbonyl)amino]-1H-indole-2-carboxamide?
The InChIKey is FOVUCFXKBJFEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-3-17(24)23-8-6-12(7-9-23)18(25)21-14-4-5-15-13(10-14)11-16(22-15)19(26)20-2/h3-5,10-12,22H,1,6-9H2,2H3,(H,20,26)(H,21,25).
What are the key properties of N-methyl-5-[(1-prop-2-enoylpiperidine-4-carbonyl)amino]-1H-indole-2-carboxamide?
N-methyl-5-[(1-prop-2-enoylpiperidine-4-carbonyl)amino]-1H-indole-2-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(1-prop-2-enoylpiperidine-4-carbonyl)amino]-1H-indole-2-carboxamide is sourced from PubChem (CID 166405184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).