N-[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]-1-benzofuran-2-carboxamide

C23H27N7O2 — CID 56627142

IUPACN-[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]-1-benzofuran-2-carboxamide
SMILESC=CCNc1nc(NCC=C)nc(N2CCC(NC(=O)c3cc4ccccc4o3)CC2)n1
InChIInChI=1S/C23H27N7O2/c1-3-11-24-21-27-22(25-12-4-2)29-23(28-21)30-13-9-17(10-14-30)26-20(31)19-15-16-7-5-6-8-18(16)32-19/h3-8,15,17H,1-2,9-14H2,(H,26,31)(H2,24,25,27,28,29)
InChIKeyOXBPBCFBVUXJJZ-UHFFFAOYSA-N
MW433.52 g/mol
LogP3.21
Rot. Bonds9

About N-[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]-1-benzofuran-2-carboxamide

N-[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]-1-benzofuran-2-carboxamide (PubChem CID 56627142) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is N-[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]-1-benzofuran-2-carboxamide
PubChem CID56627142
Molecular FormulaC23H27N7O2
Molecular Weight433.52 g/mol
Exact Mass433.22
IUPAC NameN-[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]-1-benzofuran-2-carboxamide
SMILESC=CCNc1nc(NCC=C)nc(N2CCC(NC(=O)c3cc4ccccc4o3)CC2)n1
InChIInChI=1S/C23H27N7O2/c1-3-11-24-21-27-22(25-12-4-2)29-23(28-21)30-13-9-17(10-14-30)26-20(31)19-15-16-7-5-6-8-18(16)32-19/h3-8,15,17H,1-2,9-14H2,(H,26,31)(H2,24,25,27,28,29)
InChIKeyOXBPBCFBVUXJJZ-UHFFFAOYSA-N
XLogP3.21
TPSA108.21 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]-1-benzofuran-2-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-[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide
CID 13377446
ethyl 4-(1-benzofuran-2-carbonylamino)piperidine-1-carboxylate
CID 31843225
cis-(1R,3S)-3-(1-benzofuran-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 97318321
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 67943148
N-[(3R)-piperidin-3-yl]-1-benzofuran-2-carboxamide
CID 93216054
N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-1-benzofuran-2-carboxamide
CID 86772115
5-[3-(1-benzofuran-2-carbonylamino)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 122054283
N-[2-(1-benzofuran-2-carbonylamino)cyclohexyl]-1-benzofuran-2-carboxamide
CID 171722189
[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl] 3-methoxypropanoate
CID 13377436
ethyl 4-[[6-methyl-2-(prop-2-enylamino)pyrimidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109320089
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-1-benzofuran-2-carboxamide
CID 43603784
N-[2-(aminomethyl)cyclopentyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 119600706

Frequently Asked Questions

What is the IUPAC name of N-[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]-1-benzofuran-2-carboxamide (CID 56627142) is N-[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]-1-benzofuran-2-carboxamide is C=CCNc1nc(NCC=C)nc(N2CCC(NC(=O)c3cc4ccccc4o3)CC2)n1.
What is the InChIKey of N-[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]-1-benzofuran-2-carboxamide?
The InChIKey is OXBPBCFBVUXJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O2/c1-3-11-24-21-27-22(25-12-4-2)29-23(28-21)30-13-9-17(10-14-30)26-20(31)19-15-16-7-5-6-8-18(16)32-19/h3-8,15,17H,1-2,9-14H2,(H,26,31)(H2,24,25,27,28,29).
What are the key properties of N-[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]-1-benzofuran-2-carboxamide?
N-[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]-1-benzofuran-2-carboxamide has a molecular weight of 433.52 g/mol, XLogP of 3.21, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 56627142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).