N-cyclopropyl-2-[[2-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]methylamino]propanamide

C13H19N5O2 — CID 136868884

IUPACN-cyclopropyl-2-[[2-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]methylamino]propanamide
SMILESCC(NCc1cccnc1/C(N)=N/O)C(=O)NC1CC1
InChIInChI=1S/C13H19N5O2/c1-8(13(19)17-10-4-5-10)16-7-9-3-2-6-15-11(9)12(14)18-20/h2-3,6,8,10,16,20H,4-5,7H2,1H3,(H2,14,18)(H,17,19)
InChIKeyAVKBUZUALHLPIN-UHFFFAOYSA-N
MW277.33 g/mol
LogP-0.07
Rot. Bonds6

About N-cyclopropyl-2-[[2-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]methylamino]propanamide

N-cyclopropyl-2-[[2-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]methylamino]propanamide (PubChem CID 136868884) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]methylamino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]methylamino]propanamide
PubChem CID136868884
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC NameN-cyclopropyl-2-[[2-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]methylamino]propanamide
SMILESCC(NCc1cccnc1/C(N)=N/O)C(=O)NC1CC1
InChIInChI=1S/C13H19N5O2/c1-8(13(19)17-10-4-5-10)16-7-9-3-2-6-15-11(9)12(14)18-20/h2-3,6,8,10,16,20H,4-5,7H2,1H3,(H2,14,18)(H,17,19)
InChIKeyAVKBUZUALHLPIN-UHFFFAOYSA-N
XLogP-0.07
TPSA112.63 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 5-0.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-cyclopropyl-2-[[2-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]methylamino]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

N'-hydroxy-3-[[(3-methylcyclopentyl)amino]methyl]pyridine-2-carboximidamide
CID 137015363
3-[(cyclohexylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 137274717
N'-hydroxy-3-[[(3-methylcyclobutyl)amino]methyl]pyridine-2-carboximidamide
CID 137000485
3-[(cyclobutylmethylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 137273186
N-cyclopentyl-2-[(2-methylphenyl)methylamino]propanamide
CID 60647813
N-cyclohexyl-2-[(2-methylphenyl)methylamino]propanamide
CID 60647843
N-cyclopropyl-2-[(2-methoxyphenyl)methylamino]propanamide
CID 43086271
N'-hydroxy-3-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]pyridine-2-carboximidamide
CID 136746816
3-[(but-2-ynylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136954347
N-cyclopropyl-2-[(2-methylpyrimidin-4-yl)methylamino]propanamide
CID 54902257
N-cyclopropyl-2-[(2,6-dimethylphenyl)methylamino]propanamide
CID 112700004
N'-hydroxy-3-[[(1-propylcyclopropyl)methylamino]methyl]pyridine-2-carboximidamide
CID 136711899

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[2-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]methylamino]propanamide?
The IUPAC name of N-cyclopropyl-2-[[2-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]methylamino]propanamide (CID 136868884) is N-cyclopropyl-2-[[2-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]methylamino]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[[2-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]methylamino]propanamide?
The canonical SMILES for N-cyclopropyl-2-[[2-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]methylamino]propanamide is CC(NCc1cccnc1/C(N)=N/O)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[[2-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]methylamino]propanamide?
The InChIKey is AVKBUZUALHLPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-8(13(19)17-10-4-5-10)16-7-9-3-2-6-15-11(9)12(14)18-20/h2-3,6,8,10,16,20H,4-5,7H2,1H3,(H2,14,18)(H,17,19).
What are the key properties of N-cyclopropyl-2-[[2-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]methylamino]propanamide?
N-cyclopropyl-2-[[2-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]methylamino]propanamide has a molecular weight of 277.33 g/mol, XLogP of -0.07, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[2-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]methylamino]propanamide is sourced from PubChem (CID 136868884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).