6-amino-N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide

C17H17N5O — CID 91793396

IUPAC6-amino-N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
SMILESCN(Cc1ccccc1-n1cccn1)C(=O)c1cccc(N)n1
InChIInChI=1S/C17H17N5O/c1-21(17(23)14-7-4-9-16(18)20-14)12-13-6-2-3-8-15(13)22-11-5-10-19-22/h2-11H,12H2,1H3,(H2,18,20)
InChIKeyYNUNHOYRXAMJCX-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.12
Rot. Bonds4

About 6-amino-N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide

6-amino-N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide (PubChem CID 91793396) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 6-amino-N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
PubChem CID91793396
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name6-amino-N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
SMILESCN(Cc1ccccc1-n1cccn1)C(=O)c1cccc(N)n1
InChIInChI=1S/C17H17N5O/c1-21(17(23)14-7-4-9-16(18)20-14)12-13-6-2-3-8-15(13)22-11-5-10-19-22/h2-11H,12H2,1H3,(H2,18,20)
InChIKeyYNUNHOYRXAMJCX-UHFFFAOYSA-N
XLogP2.12
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 61166353
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N-methyl-2-[(4S,6R)-6-methyl-2-sulfanylidene-1,3-diazinan-4-yl]-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 6-amino-N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide (CID 91793396) is 6-amino-N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-amino-N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-amino-N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide is CN(Cc1ccccc1-n1cccn1)C(=O)c1cccc(N)n1.
What is the InChIKey of 6-amino-N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is YNUNHOYRXAMJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-21(17(23)14-7-4-9-16(18)20-14)12-13-6-2-3-8-15(13)22-11-5-10-19-22/h2-11H,12H2,1H3,(H2,18,20).
What are the key properties of 6-amino-N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide?
6-amino-N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 307.36 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 91793396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).