N-[[4-(4-amino-5-methylpyrazole-1-carbonyl)-2-pyridinyl]methyl]methanesulfonamide

C12H15N5O3S — CID 112521751

IUPACN-[[4-(4-amino-5-methylpyrazole-1-carbonyl)-2-pyridinyl]methyl]methanesulfonamide
SMILESCc1c(N)cnn1C(=O)c1ccnc(CNS(C)(=O)=O)c1
InChIInChI=1S/C12H15N5O3S/c1-8-11(13)7-15-17(8)12(18)9-3-4-14-10(5-9)6-16-21(2,19)20/h3-5,7,16H,6,13H2,1-2H3
InChIKeyXKNLVQYWNMJHTA-UHFFFAOYSA-N
MW309.35 g/mol
LogP-0.09
Rot. Bonds4

About N-[[4-(4-amino-5-methylpyrazole-1-carbonyl)-2-pyridinyl]methyl]methanesulfonamide

N-[[4-(4-amino-5-methylpyrazole-1-carbonyl)-2-pyridinyl]methyl]methanesulfonamide (PubChem CID 112521751) has the molecular formula C12H15N5O3S and a molecular weight of 309.35 g/mol. Its IUPAC name is N-[[4-(4-amino-5-methylpyrazole-1-carbonyl)-2-pyridinyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[4-(4-amino-5-methylpyrazole-1-carbonyl)-2-pyridinyl]methyl]methanesulfonamide
PubChem CID112521751
Molecular FormulaC12H15N5O3S
Molecular Weight309.35 g/mol
Exact Mass309.09
IUPAC NameN-[[4-(4-amino-5-methylpyrazole-1-carbonyl)-2-pyridinyl]methyl]methanesulfonamide
SMILESCc1c(N)cnn1C(=O)c1ccnc(CNS(C)(=O)=O)c1
InChIInChI=1S/C12H15N5O3S/c1-8-11(13)7-15-17(8)12(18)9-3-4-14-10(5-9)6-16-21(2,19)20/h3-5,7,16H,6,13H2,1-2H3
InChIKeyXKNLVQYWNMJHTA-UHFFFAOYSA-N
XLogP-0.09
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[4-(4-aminopiperidine-1-carbonyl)-2-pyridinyl]methyl]methanesulfonamide
CID 112531128
N-[[4-(5-aminoindazole-1-carbonyl)-2-pyridinyl]methyl]acetamide
CID 112527276
2-(methanesulfonamidomethyl)-N-(2-methyl-1H-indol-5-yl)pyridine-4-carboxamide
CID 112526205
2-(methanesulfonamidomethyl)-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 112530815
2-(methanesulfonamidomethyl)-N-(2-methyl-1H-indol-7-yl)pyridine-4-carboxamide
CID 112526802
N-[2-(4-fluorophenyl)ethyl]-2-(methanesulfonamidomethyl)pyridine-4-carboxamide
CID 112529108
N-[[4-(methanesulfonamidomethyl)-2-pyridinyl]methyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 157015006
2-(aminomethyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide
CID 114325900
ethyl N-[[4-(4-amino-3-methylpyrazole-1-carbonyl)-2-pyridinyl]methyl]carbamate
CID 112525138
2-(aminomethyl)-N-(3-methylsulfonylphenyl)pyridine-4-carboxamide
CID 114325907
ethyl N-[[4-(piperidine-1-carbonyl)-2-pyridinyl]methyl]carbamate
CID 112530420
2-(acetamidomethyl)-N-(2-methylpyrimidin-5-yl)pyridine-4-carboxamide
CID 112524228

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-amino-5-methylpyrazole-1-carbonyl)-2-pyridinyl]methyl]methanesulfonamide?
The IUPAC name of N-[[4-(4-amino-5-methylpyrazole-1-carbonyl)-2-pyridinyl]methyl]methanesulfonamide (CID 112521751) is N-[[4-(4-amino-5-methylpyrazole-1-carbonyl)-2-pyridinyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[4-(4-amino-5-methylpyrazole-1-carbonyl)-2-pyridinyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[4-(4-amino-5-methylpyrazole-1-carbonyl)-2-pyridinyl]methyl]methanesulfonamide is Cc1c(N)cnn1C(=O)c1ccnc(CNS(C)(=O)=O)c1.
What is the InChIKey of N-[[4-(4-amino-5-methylpyrazole-1-carbonyl)-2-pyridinyl]methyl]methanesulfonamide?
The InChIKey is XKNLVQYWNMJHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3S/c1-8-11(13)7-15-17(8)12(18)9-3-4-14-10(5-9)6-16-21(2,19)20/h3-5,7,16H,6,13H2,1-2H3.
What are the key properties of N-[[4-(4-amino-5-methylpyrazole-1-carbonyl)-2-pyridinyl]methyl]methanesulfonamide?
N-[[4-(4-amino-5-methylpyrazole-1-carbonyl)-2-pyridinyl]methyl]methanesulfonamide has a molecular weight of 309.35 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-amino-5-methylpyrazole-1-carbonyl)-2-pyridinyl]methyl]methanesulfonamide is sourced from PubChem (CID 112521751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).