5-amino-N-[(4-methyl-3-pyridinyl)methyl]-1H-indazole-3-carboxamide

C15H15N5O — CID 114954310

IUPAC5-amino-N-[(4-methyl-3-pyridinyl)methyl]-1H-indazole-3-carboxamide
SMILESCc1ccncc1CNC(=O)c1n[nH]c2ccc(N)cc12
InChIInChI=1S/C15H15N5O/c1-9-4-5-17-7-10(9)8-18-15(21)14-12-6-11(16)2-3-13(12)19-20-14/h2-7H,8,16H2,1H3,(H,18,21)(H,19,20)
InChIKeyADUNHYWQTKCWGU-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.78
Rot. Bonds3

About 5-amino-N-[(4-methyl-3-pyridinyl)methyl]-1H-indazole-3-carboxamide

5-amino-N-[(4-methyl-3-pyridinyl)methyl]-1H-indazole-3-carboxamide (PubChem CID 114954310) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 5-amino-N-[(4-methyl-3-pyridinyl)methyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(4-methyl-3-pyridinyl)methyl]-1H-indazole-3-carboxamide
PubChem CID114954310
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name5-amino-N-[(4-methyl-3-pyridinyl)methyl]-1H-indazole-3-carboxamide
SMILESCc1ccncc1CNC(=O)c1n[nH]c2ccc(N)cc12
InChIInChI=1S/C15H15N5O/c1-9-4-5-17-7-10(9)8-18-15(21)14-12-6-11(16)2-3-13(12)19-20-14/h2-7H,8,16H2,1H3,(H,18,21)(H,19,20)
InChIKeyADUNHYWQTKCWGU-UHFFFAOYSA-N
XLogP1.78
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-indazole-3-carboxamide
CID 61140575
5-amino-N-ethyl-1H-indazole-3-carboxamide
CID 60909138
5-amino-N-[(6-methyl-3-pyridinyl)methyl]-1H-indazole-3-carboxamide
CID 62997565
5-amino-2-fluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114954363
4-amino-2-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114954314
5-amino-N-(1H-pyrazol-4-ylmethyl)-1H-indazole-3-carboxamide
CID 61141140
5-amino-N-[(4-methyl-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 107377156
3-amino-4-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114954315
5-amino-N-(4-ethyl-1H-pyrazol-5-yl)-1H-indazole-3-carboxamide
CID 104616617
5-amino-N-(3-fluoro-4-methylphenyl)-1H-indazole-3-carboxamide
CID 60904871
5-amino-N-(4-bromo-3-methylphenyl)-1H-indazole-3-carboxamide
CID 60904873
1-(3-aminophenyl)-3-[(4-methyl-3-pyridinyl)methyl]urea
CID 114956458

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(4-methyl-3-pyridinyl)methyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-amino-N-[(4-methyl-3-pyridinyl)methyl]-1H-indazole-3-carboxamide (CID 114954310) is 5-amino-N-[(4-methyl-3-pyridinyl)methyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-amino-N-[(4-methyl-3-pyridinyl)methyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-amino-N-[(4-methyl-3-pyridinyl)methyl]-1H-indazole-3-carboxamide is Cc1ccncc1CNC(=O)c1n[nH]c2ccc(N)cc12.
What is the InChIKey of 5-amino-N-[(4-methyl-3-pyridinyl)methyl]-1H-indazole-3-carboxamide?
The InChIKey is ADUNHYWQTKCWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-9-4-5-17-7-10(9)8-18-15(21)14-12-6-11(16)2-3-13(12)19-20-14/h2-7H,8,16H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 5-amino-N-[(4-methyl-3-pyridinyl)methyl]-1H-indazole-3-carboxamide?
5-amino-N-[(4-methyl-3-pyridinyl)methyl]-1H-indazole-3-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 1.78, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(4-methyl-3-pyridinyl)methyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 114954310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).