5-(N'-hydroxycarbamimidoyl)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-carboxamide

C14H22N4O2 — CID 77005423

IUPAC5-(N'-hydroxycarbamimidoyl)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)CN(C(=O)c1ccc(C(N)=NO)cn1)C(C)C
InChIInChI=1S/C14H22N4O2/c1-9(2)8-18(10(3)4)14(19)12-6-5-11(7-16-12)13(15)17-20/h5-7,9-10,20H,8H2,1-4H3,(H2,15,17)
InChIKeyDDHLRTVEBHZTAR-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.68
Rot. Bonds5

About 5-(N'-hydroxycarbamimidoyl)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-carboxamide

5-(N'-hydroxycarbamimidoyl)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-carboxamide (PubChem CID 77005423) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 5-(N'-hydroxycarbamimidoyl)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(N'-hydroxycarbamimidoyl)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-carboxamide
PubChem CID77005423
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name5-(N'-hydroxycarbamimidoyl)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)CN(C(=O)c1ccc(C(N)=NO)cn1)C(C)C
InChIInChI=1S/C14H22N4O2/c1-9(2)8-18(10(3)4)14(19)12-6-5-11(7-16-12)13(15)17-20/h5-7,9-10,20H,8H2,1-4H3,(H2,15,17)
InChIKeyDDHLRTVEBHZTAR-UHFFFAOYSA-N
XLogP1.68
TPSA91.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.68
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-propan-2-yl-N-propylpyridine-2-carboxamide
CID 55228873
5-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridine-2-carboxamide
CID 82960384
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
5-[(Z)-N'-hydroxycarbamimidoyl]-N-(4-methylpentan-2-yl)pyridine-2-carboxamide
CID 55229065
5-(N'-hydroxycarbamimidoyl)-N,N-bis(2-methoxyethyl)pyridine-2-carboxamide
CID 76951862
5-(N'-hydroxycarbamimidoyl)-N-[2-(3-methylbutoxy)ethyl]pyridine-2-carboxamide
CID 77005365
N-butan-2-yl-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
CID 76951882
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
5-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methylbutan-2-yl)pyridine-2-carboxamide
CID 55231173
5-(N'-hydroxycarbamimidoyl)-N-methylpyridine-2-carboxamide
CID 77005050

Frequently Asked Questions

What is the IUPAC name of 5-(N'-hydroxycarbamimidoyl)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of 5-(N'-hydroxycarbamimidoyl)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-carboxamide (CID 77005423) is 5-(N'-hydroxycarbamimidoyl)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 5-(N'-hydroxycarbamimidoyl)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for 5-(N'-hydroxycarbamimidoyl)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-carboxamide is CC(C)CN(C(=O)c1ccc(C(N)=NO)cn1)C(C)C.
What is the InChIKey of 5-(N'-hydroxycarbamimidoyl)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-carboxamide?
The InChIKey is DDHLRTVEBHZTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-9(2)8-18(10(3)4)14(19)12-6-5-11(7-16-12)13(15)17-20/h5-7,9-10,20H,8H2,1-4H3,(H2,15,17).
What are the key properties of 5-(N'-hydroxycarbamimidoyl)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-carboxamide?
5-(N'-hydroxycarbamimidoyl)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N'-hydroxycarbamimidoyl)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 77005423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).