5-[[6-[(4-butanimidoylpiperidine-1-carbonyl)amino]pyrimidin-4-yl]amino]-N-ethylindole-1-carboxamide

C25H32N8O2 — CID 175250346

IUPAC5-[[6-[(4-butanimidoylpiperidine-1-carbonyl)amino]pyrimidin-4-yl]amino]-N-ethylindole-1-carboxamide
SMILES[H]/N=C(\CCC)C1CCN(C(=O)Nc2cc(Nc3ccc4c(ccn4C(=O)NCC)c3)ncn2)CC1
InChIInChI=1S/C25H32N8O2/c1-3-5-20(26)17-8-11-32(12-9-17)25(35)31-23-15-22(28-16-29-23)30-19-6-7-21-18(14-19)10-13-33(21)24(34)27-4-2/h6-7,10,13-17,26H,3-5,8-9,11-12H2,1-2H3,(H,27,34)(H2,28,29,30,31,35)/b26-20+
InChIKeyLPIAMMMKVNZGFO-LHLOQNFPSA-N
MW476.59 g/mol
LogP4.82
Rot. Bonds7

About 5-[[6-[(4-butanimidoylpiperidine-1-carbonyl)amino]pyrimidin-4-yl]amino]-N-ethylindole-1-carboxamide

5-[[6-[(4-butanimidoylpiperidine-1-carbonyl)amino]pyrimidin-4-yl]amino]-N-ethylindole-1-carboxamide (PubChem CID 175250346) has the molecular formula C25H32N8O2 and a molecular weight of 476.59 g/mol. Its IUPAC name is 5-[[6-[(4-butanimidoylpiperidine-1-carbonyl)amino]pyrimidin-4-yl]amino]-N-ethylindole-1-carboxamide.

Molecular Properties

Compound Name5-[[6-[(4-butanimidoylpiperidine-1-carbonyl)amino]pyrimidin-4-yl]amino]-N-ethylindole-1-carboxamide
PubChem CID175250346
Molecular FormulaC25H32N8O2
Molecular Weight476.59 g/mol
Exact Mass476.26
IUPAC Name5-[[6-[(4-butanimidoylpiperidine-1-carbonyl)amino]pyrimidin-4-yl]amino]-N-ethylindole-1-carboxamide
SMILES[H]/N=C(\CCC)C1CCN(C(=O)Nc2cc(Nc3ccc4c(ccn4C(=O)NCC)c3)ncn2)CC1
InChIInChI=1S/C25H32N8O2/c1-3-5-20(26)17-8-11-32(12-9-17)25(35)31-23-15-22(28-16-29-23)30-19-6-7-21-18(14-19)10-13-33(21)24(34)27-4-2/h6-7,10,13-17,26H,3-5,8-9,11-12H2,1-2H3,(H,27,34)(H2,28,29,30,31,35)/b26-20+
InChIKeyLPIAMMMKVNZGFO-LHLOQNFPSA-N
XLogP4.82
TPSA128.03 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.59
LogP ≤ 54.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-[[6-[(4-butanimidoylpiperidine-1-carbonyl)amino]pyrimidin-4-yl]amino]-N-ethylindole-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-[[1-(pyrrolidine-1-carbonyl)indol-5-yl]amino]pyrimidin-4-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 21054875
N-[6-(4-aminoanilino)pyrimidin-4-yl]pyrrolidine-1-carboxamide
CID 23152957
5-[[2-[(4-hydroxypiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]-N-(3-methylbutyl)indole-1-carboxamide
CID 10073189
N-[6-(4-aminoanilino)pyrimidin-4-yl]-2-iminopentanamide
CID 174500716
N-methyl-5-[[2-[(4-pyrrolidin-1-ylpiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide
CID 10434497
6-[[6-[5-(diethylamino)pentanoylamino]pyrimidin-4-yl]amino]-N-methylindole-1-carboxamide
CID 58792219
4-(1-hydroxyethyl)-N-(1-propylindol-5-yl)piperidine-1-carboxamide
CID 111424917
4-[1-[(5-cyclopropyl-1,2-oxazol-3-yl)carbamoyl]indol-5-yl]oxy-N-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 129045028
4-[[[6-(4-butanoylanilino)pyrimidin-4-yl]-methylamino]methyl]piperidine-1-carboxylic acid
CID 141132596
N-[1-(2-methoxyethyl)indol-5-yl]-4-methylpiperidine-1-carboxamide
CID 56825863
4-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
CID 110936365
1-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1,4-dicarboxamide
CID 108887466

Frequently Asked Questions

What is the IUPAC name of 5-[[6-[(4-butanimidoylpiperidine-1-carbonyl)amino]pyrimidin-4-yl]amino]-N-ethylindole-1-carboxamide?
The IUPAC name of 5-[[6-[(4-butanimidoylpiperidine-1-carbonyl)amino]pyrimidin-4-yl]amino]-N-ethylindole-1-carboxamide (CID 175250346) is 5-[[6-[(4-butanimidoylpiperidine-1-carbonyl)amino]pyrimidin-4-yl]amino]-N-ethylindole-1-carboxamide.
What is the SMILES notation for 5-[[6-[(4-butanimidoylpiperidine-1-carbonyl)amino]pyrimidin-4-yl]amino]-N-ethylindole-1-carboxamide?
The canonical SMILES for 5-[[6-[(4-butanimidoylpiperidine-1-carbonyl)amino]pyrimidin-4-yl]amino]-N-ethylindole-1-carboxamide is [H]/N=C(\CCC)C1CCN(C(=O)Nc2cc(Nc3ccc4c(ccn4C(=O)NCC)c3)ncn2)CC1.
What is the InChIKey of 5-[[6-[(4-butanimidoylpiperidine-1-carbonyl)amino]pyrimidin-4-yl]amino]-N-ethylindole-1-carboxamide?
The InChIKey is LPIAMMMKVNZGFO-LHLOQNFPSA-N. The full InChI is InChI=1S/C25H32N8O2/c1-3-5-20(26)17-8-11-32(12-9-17)25(35)31-23-15-22(28-16-29-23)30-19-6-7-21-18(14-19)10-13-33(21)24(34)27-4-2/h6-7,10,13-17,26H,3-5,8-9,11-12H2,1-2H3,(H,27,34)(H2,28,29,30,31,35)/b26-20+.
What are the key properties of 5-[[6-[(4-butanimidoylpiperidine-1-carbonyl)amino]pyrimidin-4-yl]amino]-N-ethylindole-1-carboxamide?
5-[[6-[(4-butanimidoylpiperidine-1-carbonyl)amino]pyrimidin-4-yl]amino]-N-ethylindole-1-carboxamide has a molecular weight of 476.59 g/mol, XLogP of 4.82, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-[(4-butanimidoylpiperidine-1-carbonyl)amino]pyrimidin-4-yl]amino]-N-ethylindole-1-carboxamide is sourced from PubChem (CID 175250346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).