N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1H-pyrazol-5-yl]-2-methylpyridine-4-carboxamide

C11H12N6O2 — CID 136771415

IUPACN-[4-[(Z)-N'-hydroxycarbamimidoyl]-1H-pyrazol-5-yl]-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2[nH]ncc2/C(N)=N/O)ccn1
InChIInChI=1S/C11H12N6O2/c1-6-4-7(2-3-13-6)11(18)15-10-8(5-14-16-10)9(12)17-19/h2-5,19H,1H3,(H2,12,17)(H2,14,15,16,18)
InChIKeyOQYFLJNGAYNHGW-UHFFFAOYSA-N
MW260.26 g/mol
LogP0.46
Rot. Bonds3

About N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1H-pyrazol-5-yl]-2-methylpyridine-4-carboxamide

N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1H-pyrazol-5-yl]-2-methylpyridine-4-carboxamide (PubChem CID 136771415) has the molecular formula C11H12N6O2 and a molecular weight of 260.26 g/mol. Its IUPAC name is N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1H-pyrazol-5-yl]-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(Z)-N'-hydroxycarbamimidoyl]-1H-pyrazol-5-yl]-2-methylpyridine-4-carboxamide
PubChem CID136771415
Molecular FormulaC11H12N6O2
Molecular Weight260.26 g/mol
Exact Mass260.10
IUPAC NameN-[4-[(Z)-N'-hydroxycarbamimidoyl]-1H-pyrazol-5-yl]-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2[nH]ncc2/C(N)=N/O)ccn1
InChIInChI=1S/C11H12N6O2/c1-6-4-7(2-3-13-6)11(18)15-10-8(5-14-16-10)9(12)17-19/h2-5,19H,1H3,(H2,12,17)(H2,14,15,16,18)
InChIKeyOQYFLJNGAYNHGW-UHFFFAOYSA-N
XLogP0.46
TPSA129.28 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 50.46
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'}

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Related Compounds

N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1H-pyrazol-5-yl]-3,6-dimethylpyridazine-4-carboxamide
CID 136905920
N-[5-chloro-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methylpyridine-4-carboxamide
CID 106753963
2-chloro-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1H-pyrazol-5-yl]-4-methylbenzamide
CID 136776120
2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]pyridine-4-carboxamide
CID 106753513
2-bromo-6-fluoro-N-[4-[(E)-N'-hydroxycarbamimidoyl]-1H-pyrazol-5-yl]benzamide
CID 137005417
N-(2-amino-4-bromo-6-methylphenyl)-2-methylpyridine-4-carboxamide
CID 106752400
N-(3-carbamothioylphenyl)-2-methylpyridine-4-carboxamide
CID 106752978
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-2-methylpyridine-4-carboxamide
CID 106753009
N-[1-[(Z)-N'-hydroxycarbamimidoyl]cycloheptyl]-2-methylpyridine-4-carboxamide
CID 106753929
N-[4-(N'-hydroxycarbamimidoyl)-1H-pyrazol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 136768455
N,2-dimethylpyridine-4-carboxamide;ethane
CID 143416894
2-(methylamino)-N-(2-methyl-4-pyridinyl)pyridine-4-carboxamide
CID 79240155

Frequently Asked Questions

What is the IUPAC name of N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1H-pyrazol-5-yl]-2-methylpyridine-4-carboxamide?
The IUPAC name of N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1H-pyrazol-5-yl]-2-methylpyridine-4-carboxamide (CID 136771415) is N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1H-pyrazol-5-yl]-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1H-pyrazol-5-yl]-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1H-pyrazol-5-yl]-2-methylpyridine-4-carboxamide is Cc1cc(C(=O)Nc2[nH]ncc2/C(N)=N/O)ccn1.
What is the InChIKey of N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1H-pyrazol-5-yl]-2-methylpyridine-4-carboxamide?
The InChIKey is OQYFLJNGAYNHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O2/c1-6-4-7(2-3-13-6)11(18)15-10-8(5-14-16-10)9(12)17-19/h2-5,19H,1H3,(H2,12,17)(H2,14,15,16,18).
What are the key properties of N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1H-pyrazol-5-yl]-2-methylpyridine-4-carboxamide?
N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1H-pyrazol-5-yl]-2-methylpyridine-4-carboxamide has a molecular weight of 260.26 g/mol, XLogP of 0.46, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1H-pyrazol-5-yl]-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 136771415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).