3-amino-N-[(2-amino-4-pyridinyl)methyl]-1H-indazole-5-carboxamide

C14H14N6O — CID 58985371

IUPAC3-amino-N-[(2-amino-4-pyridinyl)methyl]-1H-indazole-5-carboxamide
SMILESNc1cc(CNC(=O)c2ccc3[nH]nc(N)c3c2)ccn1
InChIInChI=1S/C14H14N6O/c15-12-5-8(3-4-17-12)7-18-14(21)9-1-2-11-10(6-9)13(16)20-19-11/h1-6H,7H2,(H2,15,17)(H,18,21)(H3,16,19,20)
InChIKeyQXAXRYIQJZIDEQ-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.05
Rot. Bonds3

About 3-amino-N-[(2-amino-4-pyridinyl)methyl]-1H-indazole-5-carboxamide

3-amino-N-[(2-amino-4-pyridinyl)methyl]-1H-indazole-5-carboxamide (PubChem CID 58985371) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is 3-amino-N-[(2-amino-4-pyridinyl)methyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2-amino-4-pyridinyl)methyl]-1H-indazole-5-carboxamide
PubChem CID58985371
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name3-amino-N-[(2-amino-4-pyridinyl)methyl]-1H-indazole-5-carboxamide
SMILESNc1cc(CNC(=O)c2ccc3[nH]nc(N)c3c2)ccn1
InChIInChI=1S/C14H14N6O/c15-12-5-8(3-4-17-12)7-18-14(21)9-1-2-11-10(6-9)13(16)20-19-11/h1-6H,7H2,(H2,15,17)(H,18,21)(H3,16,19,20)
InChIKeyQXAXRYIQJZIDEQ-UHFFFAOYSA-N
XLogP1.05
TPSA122.71 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-amino-4-pyridinyl)methyl]-1H-indazole-5-carboxamide?
The IUPAC name of 3-amino-N-[(2-amino-4-pyridinyl)methyl]-1H-indazole-5-carboxamide (CID 58985371) is 3-amino-N-[(2-amino-4-pyridinyl)methyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[(2-amino-4-pyridinyl)methyl]-1H-indazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[(2-amino-4-pyridinyl)methyl]-1H-indazole-5-carboxamide is Nc1cc(CNC(=O)c2ccc3[nH]nc(N)c3c2)ccn1.
What is the InChIKey of 3-amino-N-[(2-amino-4-pyridinyl)methyl]-1H-indazole-5-carboxamide?
The InChIKey is QXAXRYIQJZIDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c15-12-5-8(3-4-17-12)7-18-14(21)9-1-2-11-10(6-9)13(16)20-19-11/h1-6H,7H2,(H2,15,17)(H,18,21)(H3,16,19,20).
What are the key properties of 3-amino-N-[(2-amino-4-pyridinyl)methyl]-1H-indazole-5-carboxamide?
3-amino-N-[(2-amino-4-pyridinyl)methyl]-1H-indazole-5-carboxamide has a molecular weight of 282.31 g/mol, XLogP of 1.05, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-amino-4-pyridinyl)methyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 58985371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).