4-methyl-N-(3-methyl-2-piperidin-1-ylhexa-3,5-dienyl)-1-pyrimidin-2-ylindole-3-carboxamide

C26H31N5O — CID 123805184

IUPAC4-methyl-N-(3-methyl-2-piperidin-1-ylhexa-3,5-dienyl)-1-pyrimidin-2-ylindole-3-carboxamide
SMILESC=CC=C(C)C(CNC(=O)c1cn(-c2ncccn2)c2cccc(C)c12)N1CCCCC1
InChIInChI=1S/C26H31N5O/c1-4-10-19(2)23(30-15-6-5-7-16-30)17-29-25(32)21-18-31(26-27-13-9-14-28-26)22-12-8-11-20(3)24(21)22/h4,8-14,18,23H,1,5-7,15-17H2,2-3H3,(H,29,32)
InChIKeyOOZILSPONYLTPP-UHFFFAOYSA-N
MW429.57 g/mol
LogP4.45
Rot. Bonds7

About 4-methyl-N-(3-methyl-2-piperidin-1-ylhexa-3,5-dienyl)-1-pyrimidin-2-ylindole-3-carboxamide

4-methyl-N-(3-methyl-2-piperidin-1-ylhexa-3,5-dienyl)-1-pyrimidin-2-ylindole-3-carboxamide (PubChem CID 123805184) has the molecular formula C26H31N5O and a molecular weight of 429.57 g/mol. Its IUPAC name is 4-methyl-N-(3-methyl-2-piperidin-1-ylhexa-3,5-dienyl)-1-pyrimidin-2-ylindole-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(3-methyl-2-piperidin-1-ylhexa-3,5-dienyl)-1-pyrimidin-2-ylindole-3-carboxamide
PubChem CID123805184
Molecular FormulaC26H31N5O
Molecular Weight429.57 g/mol
Exact Mass429.25
IUPAC Name4-methyl-N-(3-methyl-2-piperidin-1-ylhexa-3,5-dienyl)-1-pyrimidin-2-ylindole-3-carboxamide
SMILESC=CC=C(C)C(CNC(=O)c1cn(-c2ncccn2)c2cccc(C)c12)N1CCCCC1
InChIInChI=1S/C26H31N5O/c1-4-10-19(2)23(30-15-6-5-7-16-30)17-29-25(32)21-18-31(26-27-13-9-14-28-26)22-12-8-11-20(3)24(21)22/h4,8-14,18,23H,1,5-7,15-17H2,2-3H3,(H,29,32)
InChIKeyOOZILSPONYLTPP-UHFFFAOYSA-N
XLogP4.45
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-methyl-N-(3-methyl-2-piperidin-1-ylhexa-3,5-dienyl)-1-pyrimidin-2-ylindole-3-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

1-(3-cyano-2-pyridinyl)-N-[(3E)-3-ethenyl-2-piperidin-1-ylhexa-3,5-dienyl]-4-methylindole-3-carboxamide
CID 88848680
N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-4-methyl-1-pyrimidin-2-ylindole-3-carboxamide
CID 69012733
N-[2-(6-methoxy-3-pyridinyl)-2-piperidin-1-ylethyl]-4-methyl-1-pyrimidin-2-ylindole-3-carboxamide
CID 25190407
N-[[1-(4-chlorophenyl)cyclohexyl]methyl]-4-methyl-1-pyrimidin-2-ylindole-3-carboxamide
CID 25190235
4-chloro-N-[4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pentyl]-1-pyrimidin-2-ylindole-3-carboxamide
CID 69082923
N-(2-ethyl-3-methylhex-3-enyl)-4-fluoro-1-pyrimidin-2-ylindole-3-carboxamide
CID 77454679
4-chloro-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methyl]-1-pyrimidin-2-ylindole-3-carboxamide
CID 69012384
4-chloro-N-(4-methyl-2-piperidin-1-ylpentyl)-1-pyrimidin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 69084255
4-chloro-N-[[1-[(3S)-3-(propan-2-ylamino)piperidin-1-yl]cyclohexyl]methyl]-1-pyrimidin-2-ylindole-3-carboxamide
CID 69082166
4-chloro-N-[2-(5-fluoro-3-pyridinyl)-2-morpholin-4-ylethyl]-1-pyrimidin-2-ylindole-3-carboxamide
CID 69083928
2-fluoro-3-methyl-N-(2-piperidin-1-ylpropyl)benzamide
CID 80718351
2-chloro-N-(2-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 61053126

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methyl-2-piperidin-1-ylhexa-3,5-dienyl)-1-pyrimidin-2-ylindole-3-carboxamide?
The IUPAC name of 4-methyl-N-(3-methyl-2-piperidin-1-ylhexa-3,5-dienyl)-1-pyrimidin-2-ylindole-3-carboxamide (CID 123805184) is 4-methyl-N-(3-methyl-2-piperidin-1-ylhexa-3,5-dienyl)-1-pyrimidin-2-ylindole-3-carboxamide.
What is the SMILES notation for 4-methyl-N-(3-methyl-2-piperidin-1-ylhexa-3,5-dienyl)-1-pyrimidin-2-ylindole-3-carboxamide?
The canonical SMILES for 4-methyl-N-(3-methyl-2-piperidin-1-ylhexa-3,5-dienyl)-1-pyrimidin-2-ylindole-3-carboxamide is C=CC=C(C)C(CNC(=O)c1cn(-c2ncccn2)c2cccc(C)c12)N1CCCCC1.
What is the InChIKey of 4-methyl-N-(3-methyl-2-piperidin-1-ylhexa-3,5-dienyl)-1-pyrimidin-2-ylindole-3-carboxamide?
The InChIKey is OOZILSPONYLTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O/c1-4-10-19(2)23(30-15-6-5-7-16-30)17-29-25(32)21-18-31(26-27-13-9-14-28-26)22-12-8-11-20(3)24(21)22/h4,8-14,18,23H,1,5-7,15-17H2,2-3H3,(H,29,32).
What are the key properties of 4-methyl-N-(3-methyl-2-piperidin-1-ylhexa-3,5-dienyl)-1-pyrimidin-2-ylindole-3-carboxamide?
4-methyl-N-(3-methyl-2-piperidin-1-ylhexa-3,5-dienyl)-1-pyrimidin-2-ylindole-3-carboxamide has a molecular weight of 429.57 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methyl-2-piperidin-1-ylhexa-3,5-dienyl)-1-pyrimidin-2-ylindole-3-carboxamide is sourced from PubChem (CID 123805184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).