2-[[N'-methyl-N-(5-oxo-1-phenylpyrrolidin-3-yl)carbamimidoyl]amino]-N-pyridin-3-ylacetamide;hydroiodide

C19H23IN6O2 — CID 111913285

IUPAC2-[[N'-methyl-N-(5-oxo-1-phenylpyrrolidin-3-yl)carbamimidoyl]amino]-N-pyridin-3-ylacetamide;hydroiodide
SMILESC/N=C(\NCC(=O)Nc1cccnc1)NC1CC(=O)N(c2ccccc2)C1.I
InChIInChI=1S/C19H22N6O2.HI/c1-20-19(22-12-17(26)23-14-6-5-9-21-11-14)24-15-10-18(27)25(13-15)16-7-3-2-4-8-16;/h2-9,11,15H,10,12-13H2,1H3,(H,23,26)(H2,20,22,24);1H
InChIKeyDGUTVSMJNXMCAN-UHFFFAOYSA-N
MW494.34 g/mol
LogP1.61
Rot. Bonds5

About 2-[[N'-methyl-N-(5-oxo-1-phenylpyrrolidin-3-yl)carbamimidoyl]amino]-N-pyridin-3-ylacetamide;hydroiodide

2-[[N'-methyl-N-(5-oxo-1-phenylpyrrolidin-3-yl)carbamimidoyl]amino]-N-pyridin-3-ylacetamide;hydroiodide (PubChem CID 111913285) has the molecular formula C19H23IN6O2 and a molecular weight of 494.34 g/mol. Its IUPAC name is 2-[[N'-methyl-N-(5-oxo-1-phenylpyrrolidin-3-yl)carbamimidoyl]amino]-N-pyridin-3-ylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[N'-methyl-N-(5-oxo-1-phenylpyrrolidin-3-yl)carbamimidoyl]amino]-N-pyridin-3-ylacetamide;hydroiodide
PubChem CID111913285
Molecular FormulaC19H23IN6O2
Molecular Weight494.34 g/mol
Exact Mass494.09
IUPAC Name2-[[N'-methyl-N-(5-oxo-1-phenylpyrrolidin-3-yl)carbamimidoyl]amino]-N-pyridin-3-ylacetamide;hydroiodide
SMILESC/N=C(\NCC(=O)Nc1cccnc1)NC1CC(=O)N(c2ccccc2)C1.I
InChIInChI=1S/C19H22N6O2.HI/c1-20-19(22-12-17(26)23-14-6-5-9-21-11-14)24-15-10-18(27)25(13-15)16-7-3-2-4-8-16;/h2-9,11,15H,10,12-13H2,1H3,(H,23,26)(H2,20,22,24);1H
InChIKeyDGUTVSMJNXMCAN-UHFFFAOYSA-N
XLogP1.61
TPSA98.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.34
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[N'-methyl-N-(5-oxo-1-phenylpyrrolidin-3-yl)carbamimidoyl]amino]-N-pyridin-3-ylacetamide;hydroiodide 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-[2-[[N'-methyl-N-(5-oxo-1-phenylpyrrolidin-3-yl)carbamimidoyl]amino]ethyl]pyridine-3-carboxamide
CID 111913419
N-[4-[[[N'-methyl-N-(5-oxo-1-phenylpyrrolidin-3-yl)carbamimidoyl]amino]methyl]phenyl]butanamide;hydroiodide
CID 111912711
2-methyl-N-[2-[[N'-methyl-N-(5-oxo-1-phenylpyrrolidin-3-yl)carbamimidoyl]amino]ethyl]propanamide
CID 111913379
N-[4-[2-[[N'-methyl-N-(5-oxo-1-phenylpyrrolidin-3-yl)carbamimidoyl]amino]ethyl]phenyl]acetamide
CID 111912872
2-[(N-benzyl-N'-methylcarbamimidoyl)amino]-N-pyridin-3-ylacetamide
CID 110953442
1-[4-(2-methoxyethoxy)butyl]-2-methyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111913660
2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]-N-phenylacetamide
CID 110934385
1-[(1-benzylpyrazol-4-yl)methyl]-2-methyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111913144
2-methyl-N-[3-[[[N'-methyl-N-(5-oxo-1-phenylpyrrolidin-3-yl)carbamimidoyl]amino]methyl]phenyl]butanamide;hydroiodide
CID 111912893
1-(2-ethoxyethyl)-2-methyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine
CID 111913115
2-methyl-1-(5-oxo-1-phenylpyrrolidin-3-yl)-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111913271
methyl 6-[[N'-methyl-N-(5-oxo-1-phenylpyrrolidin-3-yl)carbamimidoyl]amino]hexanoate
CID 111913371

Frequently Asked Questions

What is the IUPAC name of 2-[[N'-methyl-N-(5-oxo-1-phenylpyrrolidin-3-yl)carbamimidoyl]amino]-N-pyridin-3-ylacetamide;hydroiodide?
The IUPAC name of 2-[[N'-methyl-N-(5-oxo-1-phenylpyrrolidin-3-yl)carbamimidoyl]amino]-N-pyridin-3-ylacetamide;hydroiodide (CID 111913285) is 2-[[N'-methyl-N-(5-oxo-1-phenylpyrrolidin-3-yl)carbamimidoyl]amino]-N-pyridin-3-ylacetamide;hydroiodide.
What is the SMILES notation for 2-[[N'-methyl-N-(5-oxo-1-phenylpyrrolidin-3-yl)carbamimidoyl]amino]-N-pyridin-3-ylacetamide;hydroiodide?
The canonical SMILES for 2-[[N'-methyl-N-(5-oxo-1-phenylpyrrolidin-3-yl)carbamimidoyl]amino]-N-pyridin-3-ylacetamide;hydroiodide is C/N=C(\NCC(=O)Nc1cccnc1)NC1CC(=O)N(c2ccccc2)C1.I.
What is the InChIKey of 2-[[N'-methyl-N-(5-oxo-1-phenylpyrrolidin-3-yl)carbamimidoyl]amino]-N-pyridin-3-ylacetamide;hydroiodide?
The InChIKey is DGUTVSMJNXMCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2.HI/c1-20-19(22-12-17(26)23-14-6-5-9-21-11-14)24-15-10-18(27)25(13-15)16-7-3-2-4-8-16;/h2-9,11,15H,10,12-13H2,1H3,(H,23,26)(H2,20,22,24);1H.
What are the key properties of 2-[[N'-methyl-N-(5-oxo-1-phenylpyrrolidin-3-yl)carbamimidoyl]amino]-N-pyridin-3-ylacetamide;hydroiodide?
2-[[N'-methyl-N-(5-oxo-1-phenylpyrrolidin-3-yl)carbamimidoyl]amino]-N-pyridin-3-ylacetamide;hydroiodide has a molecular weight of 494.34 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[N'-methyl-N-(5-oxo-1-phenylpyrrolidin-3-yl)carbamimidoyl]amino]-N-pyridin-3-ylacetamide;hydroiodide is sourced from PubChem (CID 111913285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).