N-(4-chloro-1H-indazol-5-yl)-2-(dimethylamino)pyridine-4-carboxamide

C15H14ClN5O — CID 167812323

IUPACN-(4-chloro-1H-indazol-5-yl)-2-(dimethylamino)pyridine-4-carboxamide
SMILESCN(C)c1cc(C(=O)Nc2ccc3[nH]ncc3c2Cl)ccn1
InChIInChI=1S/C15H14ClN5O/c1-21(2)13-7-9(5-6-17-13)15(22)19-12-4-3-11-10(14(12)16)8-18-20-11/h3-8H,1-2H3,(H,18,20)(H,19,22)
InChIKeyRPRAUFJYHTUNKS-UHFFFAOYSA-N
MW315.76 g/mol
LogP2.93
Rot. Bonds3

About N-(4-chloro-1H-indazol-5-yl)-2-(dimethylamino)pyridine-4-carboxamide

N-(4-chloro-1H-indazol-5-yl)-2-(dimethylamino)pyridine-4-carboxamide (PubChem CID 167812323) has the molecular formula C15H14ClN5O and a molecular weight of 315.76 g/mol. Its IUPAC name is N-(4-chloro-1H-indazol-5-yl)-2-(dimethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-1H-indazol-5-yl)-2-(dimethylamino)pyridine-4-carboxamide
PubChem CID167812323
Molecular FormulaC15H14ClN5O
Molecular Weight315.76 g/mol
Exact Mass315.09
IUPAC NameN-(4-chloro-1H-indazol-5-yl)-2-(dimethylamino)pyridine-4-carboxamide
SMILESCN(C)c1cc(C(=O)Nc2ccc3[nH]ncc3c2Cl)ccn1
InChIInChI=1S/C15H14ClN5O/c1-21(2)13-7-9(5-6-17-13)15(22)19-12-4-3-11-10(14(12)16)8-18-20-11/h3-8H,1-2H3,(H,18,20)(H,19,22)
InChIKeyRPRAUFJYHTUNKS-UHFFFAOYSA-N
XLogP2.93
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1H-indazol-5-yl)-2-(dimethylamino)pyridine-4-carboxamide?
The IUPAC name of N-(4-chloro-1H-indazol-5-yl)-2-(dimethylamino)pyridine-4-carboxamide (CID 167812323) is N-(4-chloro-1H-indazol-5-yl)-2-(dimethylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-1H-indazol-5-yl)-2-(dimethylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(4-chloro-1H-indazol-5-yl)-2-(dimethylamino)pyridine-4-carboxamide is CN(C)c1cc(C(=O)Nc2ccc3[nH]ncc3c2Cl)ccn1.
What is the InChIKey of N-(4-chloro-1H-indazol-5-yl)-2-(dimethylamino)pyridine-4-carboxamide?
The InChIKey is RPRAUFJYHTUNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O/c1-21(2)13-7-9(5-6-17-13)15(22)19-12-4-3-11-10(14(12)16)8-18-20-11/h3-8H,1-2H3,(H,18,20)(H,19,22).
What are the key properties of N-(4-chloro-1H-indazol-5-yl)-2-(dimethylamino)pyridine-4-carboxamide?
N-(4-chloro-1H-indazol-5-yl)-2-(dimethylamino)pyridine-4-carboxamide has a molecular weight of 315.76 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1H-indazol-5-yl)-2-(dimethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 167812323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).