N-cyclopentyl-3-[[N'-methyl-N-(2-pyridin-2-ylethyl)carbamimidoyl]amino]propanamide

C17H27N5O — CID 111193162

IUPACN-cyclopentyl-3-[[N'-methyl-N-(2-pyridin-2-ylethyl)carbamimidoyl]amino]propanamide
SMILESC/N=C(\NCCC(=O)NC1CCCC1)NCCc1ccccn1
InChIInChI=1S/C17H27N5O/c1-18-17(20-12-9-14-6-4-5-11-19-14)21-13-10-16(23)22-15-7-2-3-8-15/h4-6,11,15H,2-3,7-10,12-13H2,1H3,(H,22,23)(H2,18,20,21)
InChIKeyNOWHOHPKEVWQCU-UHFFFAOYSA-N
MW317.44 g/mol
LogP1.24
Rot. Bonds7

About N-cyclopentyl-3-[[N'-methyl-N-(2-pyridin-2-ylethyl)carbamimidoyl]amino]propanamide

N-cyclopentyl-3-[[N'-methyl-N-(2-pyridin-2-ylethyl)carbamimidoyl]amino]propanamide (PubChem CID 111193162) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is N-cyclopentyl-3-[[N'-methyl-N-(2-pyridin-2-ylethyl)carbamimidoyl]amino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[[N'-methyl-N-(2-pyridin-2-ylethyl)carbamimidoyl]amino]propanamide
PubChem CID111193162
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC NameN-cyclopentyl-3-[[N'-methyl-N-(2-pyridin-2-ylethyl)carbamimidoyl]amino]propanamide
SMILESC/N=C(\NCCC(=O)NC1CCCC1)NCCc1ccccn1
InChIInChI=1S/C17H27N5O/c1-18-17(20-12-9-14-6-4-5-11-19-14)21-13-10-16(23)22-15-7-2-3-8-15/h4-6,11,15H,2-3,7-10,12-13H2,1H3,(H,22,23)(H2,18,20,21)
InChIKeyNOWHOHPKEVWQCU-UHFFFAOYSA-N
XLogP1.24
TPSA78.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-cyclopentyl-3-[[N'-methyl-N-(2-pyridin-2-ylethyl)carbamimidoyl]amino]propanamide 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-cyclohexyl-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 110957791
1-cyclopropyl-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 110933648
N-cyclopentyl-3-pyridin-2-ylpropanamide
CID 78980134
N-cycloheptyl-3-pyridin-2-ylpropanamide
CID 110389210
ethyl 4-[[N'-methyl-N-(2-pyridin-2-ylethyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 111327294
N-cyclohexyl-3-[[N-[(2-ethylphenyl)methyl]-N'-methylcarbamimidoyl]amino]propanamide
CID 111635358
N-cyclopentyl-3-[[N-[2-(4-fluorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]propanamide;hydroiodide
CID 111229934
N-(5-methyl-2-pyridinyl)-3-[[N'-methyl-N-(2-pyridin-2-ylethyl)carbamimidoyl]amino]propanamide
CID 111194494
2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-cyclohexylacetamide
CID 111090861
2-[[(cyclohexylamino)-(2-pyridin-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110958733
N-cyclopropyl-2-[4-[2-[[N'-methyl-N-(pyridin-2-ylmethyl)carbamimidoyl]amino]ethyl]phenoxy]acetamide;hydroiodide
CID 110971170
N-cyclohexyl-3-[(N'-methyl-N-propylcarbamimidoyl)amino]propanamide
CID 111226709

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[[N'-methyl-N-(2-pyridin-2-ylethyl)carbamimidoyl]amino]propanamide?
The IUPAC name of N-cyclopentyl-3-[[N'-methyl-N-(2-pyridin-2-ylethyl)carbamimidoyl]amino]propanamide (CID 111193162) is N-cyclopentyl-3-[[N'-methyl-N-(2-pyridin-2-ylethyl)carbamimidoyl]amino]propanamide.
What is the SMILES notation for N-cyclopentyl-3-[[N'-methyl-N-(2-pyridin-2-ylethyl)carbamimidoyl]amino]propanamide?
The canonical SMILES for N-cyclopentyl-3-[[N'-methyl-N-(2-pyridin-2-ylethyl)carbamimidoyl]amino]propanamide is C/N=C(\NCCC(=O)NC1CCCC1)NCCc1ccccn1.
What is the InChIKey of N-cyclopentyl-3-[[N'-methyl-N-(2-pyridin-2-ylethyl)carbamimidoyl]amino]propanamide?
The InChIKey is NOWHOHPKEVWQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-18-17(20-12-9-14-6-4-5-11-19-14)21-13-10-16(23)22-15-7-2-3-8-15/h4-6,11,15H,2-3,7-10,12-13H2,1H3,(H,22,23)(H2,18,20,21).
What are the key properties of N-cyclopentyl-3-[[N'-methyl-N-(2-pyridin-2-ylethyl)carbamimidoyl]amino]propanamide?
N-cyclopentyl-3-[[N'-methyl-N-(2-pyridin-2-ylethyl)carbamimidoyl]amino]propanamide has a molecular weight of 317.44 g/mol, XLogP of 1.24, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[[N'-methyl-N-(2-pyridin-2-ylethyl)carbamimidoyl]amino]propanamide is sourced from PubChem (CID 111193162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).