N-(dicyclopropylmethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide

C14H18N4O2 — CID 77005031

IUPACN-(dicyclopropylmethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
SMILESNC(=NO)c1ccc(C(=O)NC(C2CC2)C2CC2)nc1
InChIInChI=1S/C14H18N4O2/c15-13(18-20)10-5-6-11(16-7-10)14(19)17-12(8-1-2-8)9-3-4-9/h5-9,12,20H,1-4H2,(H2,15,18)(H,17,19)
InChIKeyOAHDUBBTQCKJMF-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.09
Rot. Bonds5

About N-(dicyclopropylmethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide

N-(dicyclopropylmethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide (PubChem CID 77005031) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
PubChem CID77005031
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-(dicyclopropylmethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
SMILESNC(=NO)c1ccc(C(=O)NC(C2CC2)C2CC2)nc1
InChIInChI=1S/C14H18N4O2/c15-13(18-20)10-5-6-11(16-7-10)14(19)17-12(8-1-2-8)9-3-4-9/h5-9,12,20H,1-4H2,(H2,15,18)(H,17,19)
InChIKeyOAHDUBBTQCKJMF-UHFFFAOYSA-N
XLogP1.09
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.09
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(dicyclopropylmethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-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

5-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methylbutan-2-yl)pyridine-2-carboxamide
CID 55231173
N-butan-2-yl-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
CID 76951882
5-(N'-hydroxycarbamimidoyl)-N-methylpyridine-2-carboxamide
CID 77005050
5-[(Z)-N'-hydroxycarbamimidoyl]-N-(4-methylpentan-2-yl)pyridine-2-carboxamide
CID 55229065
5-(N'-hydroxycarbamimidoyl)-N-phenylpyridine-2-carboxamide
CID 77005403
5-[(Z)-N'-hydroxycarbamimidoyl]-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide
CID 113472987
N-(cyclopentylmethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
CID 77005094
N-(2-cyclopentylethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
CID 77005261
5-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclohexyl)pyridine-2-carboxamide
CID 77005250
N-(dicyclopropylmethyl)-5-(methylamino)pyridine-2-carboxamide
CID 113436148
N-(4-ethylcyclohexyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
CID 77005388
5-(N'-hydroxycarbamimidoyl)-N-(oxan-2-ylmethyl)pyridine-2-carboxamide
CID 77005035

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide?
The IUPAC name of N-(dicyclopropylmethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide (CID 77005031) is N-(dicyclopropylmethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(dicyclopropylmethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide?
The canonical SMILES for N-(dicyclopropylmethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide is NC(=NO)c1ccc(C(=O)NC(C2CC2)C2CC2)nc1.
What is the InChIKey of N-(dicyclopropylmethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide?
The InChIKey is OAHDUBBTQCKJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c15-13(18-20)10-5-6-11(16-7-10)14(19)17-12(8-1-2-8)9-3-4-9/h5-9,12,20H,1-4H2,(H2,15,18)(H,17,19).
What are the key properties of N-(dicyclopropylmethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide?
N-(dicyclopropylmethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide is sourced from PubChem (CID 77005031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).