5-[(Z)-N'-hydroxycarbamimidoyl]-N-propan-2-yl-N-propylpyridine-2-carboxamide

C13H20N4O2 — CID 55228873

IUPAC5-[(Z)-N'-hydroxycarbamimidoyl]-N-propan-2-yl-N-propylpyridine-2-carboxamide
SMILESCCCN(C(=O)c1ccc(/C(N)=N/O)cn1)C(C)C
InChIInChI=1S/C13H20N4O2/c1-4-7-17(9(2)3)13(18)11-6-5-10(8-15-11)12(14)16-19/h5-6,8-9,19H,4,7H2,1-3H3,(H2,14,16)
InChIKeyDUDLELVYYMBIDC-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.44
Rot. Bonds5

About 5-[(Z)-N'-hydroxycarbamimidoyl]-N-propan-2-yl-N-propylpyridine-2-carboxamide

5-[(Z)-N'-hydroxycarbamimidoyl]-N-propan-2-yl-N-propylpyridine-2-carboxamide (PubChem CID 55228873) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 5-[(Z)-N'-hydroxycarbamimidoyl]-N-propan-2-yl-N-propylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(Z)-N'-hydroxycarbamimidoyl]-N-propan-2-yl-N-propylpyridine-2-carboxamide
PubChem CID55228873
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name5-[(Z)-N'-hydroxycarbamimidoyl]-N-propan-2-yl-N-propylpyridine-2-carboxamide
SMILESCCCN(C(=O)c1ccc(/C(N)=N/O)cn1)C(C)C
InChIInChI=1S/C13H20N4O2/c1-4-7-17(9(2)3)13(18)11-6-5-10(8-15-11)12(14)16-19/h5-6,8-9,19H,4,7H2,1-3H3,(H2,14,16)
InChIKeyDUDLELVYYMBIDC-UHFFFAOYSA-N
XLogP1.44
TPSA91.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.44
H-Bond Donors ≤ 52
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'}

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Related Compounds

5-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridine-2-carboxamide
CID 82960384
5-(N'-hydroxycarbamimidoyl)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-carboxamide
CID 77005423
N-ethyl-5-(N'-hydroxycarbamimidoyl)-N-(1-methoxypropan-2-yl)pyridine-2-carboxamide
CID 76951900
N-ethyl-5-(N'-hydroxycarbamimidoyl)-N-(2-methylbutyl)pyridine-2-carboxamide
CID 79470697
N-(cyclopropylmethyl)-5-(N'-hydroxycarbamimidoyl)-N-propylpyridine-2-carboxamide
CID 77005162
5-(methylamino)-N-propan-2-yl-N-propylpyridine-2-carboxamide
CID 113436082
5-(N'-hydroxycarbamimidoyl)-N,N-bis(2-methoxyethyl)pyridine-2-carboxamide
CID 76951862
2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-propan-2-yl-N-propylacetamide
CID 77001388
N-butan-2-yl-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
CID 76951882
6-methyl-N-propan-2-yl-N-propylpyridine-3-carboxamide
CID 10421027
5-(N'-hydroxycarbamimidoyl)-N-methyl-N-(3,3,3-trifluoropropyl)pyridine-2-carboxamide
CID 77073182
5-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methylsulfanylpropyl)pyridine-2-carboxamide
CID 113466852

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-N'-hydroxycarbamimidoyl]-N-propan-2-yl-N-propylpyridine-2-carboxamide?
The IUPAC name of 5-[(Z)-N'-hydroxycarbamimidoyl]-N-propan-2-yl-N-propylpyridine-2-carboxamide (CID 55228873) is 5-[(Z)-N'-hydroxycarbamimidoyl]-N-propan-2-yl-N-propylpyridine-2-carboxamide.
What is the SMILES notation for 5-[(Z)-N'-hydroxycarbamimidoyl]-N-propan-2-yl-N-propylpyridine-2-carboxamide?
The canonical SMILES for 5-[(Z)-N'-hydroxycarbamimidoyl]-N-propan-2-yl-N-propylpyridine-2-carboxamide is CCCN(C(=O)c1ccc(/C(N)=N/O)cn1)C(C)C.
What is the InChIKey of 5-[(Z)-N'-hydroxycarbamimidoyl]-N-propan-2-yl-N-propylpyridine-2-carboxamide?
The InChIKey is DUDLELVYYMBIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-4-7-17(9(2)3)13(18)11-6-5-10(8-15-11)12(14)16-19/h5-6,8-9,19H,4,7H2,1-3H3,(H2,14,16).
What are the key properties of 5-[(Z)-N'-hydroxycarbamimidoyl]-N-propan-2-yl-N-propylpyridine-2-carboxamide?
5-[(Z)-N'-hydroxycarbamimidoyl]-N-propan-2-yl-N-propylpyridine-2-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-N'-hydroxycarbamimidoyl]-N-propan-2-yl-N-propylpyridine-2-carboxamide is sourced from PubChem (CID 55228873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).