N-(1H-indazol-6-yl)-2-(propan-2-ylamino)pyridine-3-carboxamide

C16H17N5O — CID 84574300

IUPACN-(1H-indazol-6-yl)-2-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1ncccc1C(=O)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C16H17N5O/c1-10(2)19-15-13(4-3-7-17-15)16(22)20-12-6-5-11-9-18-21-14(11)8-12/h3-10H,1-2H3,(H,17,19)(H,18,21)(H,20,22)
InChIKeyGMLYTCGNBMIZKR-UHFFFAOYSA-N
MW295.35 g/mol
LogP3.03
Rot. Bonds4

About N-(1H-indazol-6-yl)-2-(propan-2-ylamino)pyridine-3-carboxamide

N-(1H-indazol-6-yl)-2-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 84574300) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-2-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-2-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID84574300
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC NameN-(1H-indazol-6-yl)-2-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1ncccc1C(=O)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C16H17N5O/c1-10(2)19-15-13(4-3-7-17-15)16(22)20-12-6-5-11-9-18-21-14(11)8-12/h3-10H,1-2H3,(H,17,19)(H,18,21)(H,20,22)
InChIKeyGMLYTCGNBMIZKR-UHFFFAOYSA-N
XLogP3.03
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-2-(propan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of N-(1H-indazol-6-yl)-2-(propan-2-ylamino)pyridine-3-carboxamide (CID 84574300) is N-(1H-indazol-6-yl)-2-(propan-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(1H-indazol-6-yl)-2-(propan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(1H-indazol-6-yl)-2-(propan-2-ylamino)pyridine-3-carboxamide is CC(C)Nc1ncccc1C(=O)Nc1ccc2cn[nH]c2c1.
What is the InChIKey of N-(1H-indazol-6-yl)-2-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is GMLYTCGNBMIZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-10(2)19-15-13(4-3-7-17-15)16(22)20-12-6-5-11-9-18-21-14(11)8-12/h3-10H,1-2H3,(H,17,19)(H,18,21)(H,20,22).
What are the key properties of N-(1H-indazol-6-yl)-2-(propan-2-ylamino)pyridine-3-carboxamide?
N-(1H-indazol-6-yl)-2-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 295.35 g/mol, XLogP of 3.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-yl)-2-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 84574300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).