N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-3-phenyl-3-pyridin-2-ylpropanamide

C21H24N6O — CID 25149611

IUPACN-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-3-phenyl-3-pyridin-2-ylpropanamide
SMILESN/C(=N\CCCc1cnc[nH]1)NC(=O)CC(c1ccccc1)c1ccccn1
InChIInChI=1S/C21H24N6O/c22-21(25-12-6-9-17-14-23-15-26-17)27-20(28)13-18(16-7-2-1-3-8-16)19-10-4-5-11-24-19/h1-5,7-8,10-11,14-15,18H,6,9,12-13H2,(H,23,26)(H3,22,25,27,28)
InChIKeyXPEMILVWHHWGBE-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.39
Rot. Bonds8

About N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-3-phenyl-3-pyridin-2-ylpropanamide

N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-3-phenyl-3-pyridin-2-ylpropanamide (PubChem CID 25149611) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-3-phenyl-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-3-phenyl-3-pyridin-2-ylpropanamide
PubChem CID25149611
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC NameN-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-3-phenyl-3-pyridin-2-ylpropanamide
SMILESN/C(=N\CCCc1cnc[nH]1)NC(=O)CC(c1ccccc1)c1ccccn1
InChIInChI=1S/C21H24N6O/c22-21(25-12-6-9-17-14-23-15-26-17)27-20(28)13-18(16-7-2-1-3-8-16)19-10-4-5-11-24-19/h1-5,7-8,10-11,14-15,18H,6,9,12-13H2,(H,23,26)(H3,22,25,27,28)
InChIKeyXPEMILVWHHWGBE-UHFFFAOYSA-N
XLogP2.39
TPSA109.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-3-phenyl-3-pyridin-2-ylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-3-phenyl-3-pyridin-2-ylpropanamide?
The IUPAC name of N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-3-phenyl-3-pyridin-2-ylpropanamide (CID 25149611) is N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-3-phenyl-3-pyridin-2-ylpropanamide.
What is the SMILES notation for N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-3-phenyl-3-pyridin-2-ylpropanamide?
The canonical SMILES for N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-3-phenyl-3-pyridin-2-ylpropanamide is N/C(=N\CCCc1cnc[nH]1)NC(=O)CC(c1ccccc1)c1ccccn1.
What is the InChIKey of N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-3-phenyl-3-pyridin-2-ylpropanamide?
The InChIKey is XPEMILVWHHWGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c22-21(25-12-6-9-17-14-23-15-26-17)27-20(28)13-18(16-7-2-1-3-8-16)19-10-4-5-11-24-19/h1-5,7-8,10-11,14-15,18H,6,9,12-13H2,(H,23,26)(H3,22,25,27,28).
What are the key properties of N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-3-phenyl-3-pyridin-2-ylpropanamide?
N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-3-phenyl-3-pyridin-2-ylpropanamide has a molecular weight of 376.46 g/mol, XLogP of 2.39, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-3-phenyl-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 25149611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).