N-[(5-amino-1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide

C11H13N5O — CID 79524448

IUPACN-[(5-amino-1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
SMILESCn1ncc(CNC(=O)c2cccnc2)c1N
InChIInChI=1S/C11H13N5O/c1-16-10(12)9(7-15-16)6-14-11(17)8-3-2-4-13-5-8/h2-5,7H,6,12H2,1H3,(H,14,17)
InChIKeyWBYNPUFYLBXYEC-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.33
Rot. Bonds3

About N-[(5-amino-1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide

N-[(5-amino-1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide (PubChem CID 79524448) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is N-[(5-amino-1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-amino-1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
PubChem CID79524448
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC NameN-[(5-amino-1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
SMILESCn1ncc(CNC(=O)c2cccnc2)c1N
InChIInChI=1S/C11H13N5O/c1-16-10(12)9(7-15-16)6-14-11(17)8-3-2-4-13-5-8/h2-5,7H,6,12H2,1H3,(H,14,17)
InChIKeyWBYNPUFYLBXYEC-UHFFFAOYSA-N
XLogP0.33
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-methylbenzamide
CID 79523593
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-hydroxypyridine-2-carboxamide
CID 79523767
N-[(5-amino-1-methylpyrazol-4-yl)methyl]furan-3-carboxamide
CID 79523860
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1H-pyrazole-4-carboxamide
CID 79523487
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1H-indole-6-carboxamide
CID 79523236
N-[(2-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 175769075
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2,3-dichlorobenzamide
CID 79523235
N-[2-(benzamidomethyl)phenyl]pyridine-3-carboxamide
CID 108926022
5-amino-1-methyl-N-[(4-methyl-3-pyridinyl)methyl]pyrazole-4-carboxamide
CID 114957256
N-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methyl]pyridine-3-carboxamide;hydrochloride
CID 110786266
N-benzylpyridine-3-carboxamide chloride
CID 21204170
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-[(5-amino-1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide (CID 79524448) is N-[(5-amino-1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(5-amino-1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(5-amino-1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide is Cn1ncc(CNC(=O)c2cccnc2)c1N.
What is the InChIKey of N-[(5-amino-1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide?
The InChIKey is WBYNPUFYLBXYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-16-10(12)9(7-15-16)6-14-11(17)8-3-2-4-13-5-8/h2-5,7H,6,12H2,1H3,(H,14,17).
What are the key properties of N-[(5-amino-1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide?
N-[(5-amino-1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide has a molecular weight of 231.26 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 79524448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).