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

C11H13N5O — CID 62185127

IUPAC2-amino-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
SMILESCn1cc(CNC(=O)c2cccnc2N)cn1
InChIInChI=1S/C11H13N5O/c1-16-7-8(6-15-16)5-14-11(17)9-3-2-4-13-10(9)12/h2-4,6-7H,5H2,1H3,(H2,12,13)(H,14,17)
InChIKeyZEJCIRVMVIGQFY-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.33
Rot. Bonds3

About 2-amino-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide

2-amino-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide (PubChem CID 62185127) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 2-amino-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
PubChem CID62185127
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name2-amino-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
SMILESCn1cc(CNC(=O)c2cccnc2N)cn1
InChIInChI=1S/C11H13N5O/c1-16-7-8(6-15-16)5-14-11(17)9-3-2-4-13-10(9)12/h2-4,6-7H,5H2,1H3,(H2,12,13)(H,14,17)
InChIKeyZEJCIRVMVIGQFY-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide (CID 62185127) is 2-amino-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide is Cn1cc(CNC(=O)c2cccnc2N)cn1.
What is the InChIKey of 2-amino-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide?
The InChIKey is ZEJCIRVMVIGQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-16-7-8(6-15-16)5-14-11(17)9-3-2-4-13-10(9)12/h2-4,6-7H,5H2,1H3,(H2,12,13)(H,14,17).
What are the key properties of 2-amino-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide?
2-amino-N-[(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 2-amino-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 62185127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).