N-(4-chloro-2-pyridinyl)-1-methylindazole-3-carboxamide

C14H11ClN4O — CID 103123877

IUPACN-(4-chloro-2-pyridinyl)-1-methylindazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2cc(Cl)ccn2)c2ccccc21
InChIInChI=1S/C14H11ClN4O/c1-19-11-5-3-2-4-10(11)13(18-19)14(20)17-12-8-9(15)6-7-16-12/h2-8H,1H3,(H,16,17,20)
InChIKeyBXIKWVLJBMLFQV-UHFFFAOYSA-N
MW286.72 g/mol
LogP2.87
Rot. Bonds2

About N-(4-chloro-2-pyridinyl)-1-methylindazole-3-carboxamide

N-(4-chloro-2-pyridinyl)-1-methylindazole-3-carboxamide (PubChem CID 103123877) has the molecular formula C14H11ClN4O and a molecular weight of 286.72 g/mol. Its IUPAC name is N-(4-chloro-2-pyridinyl)-1-methylindazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyridinyl)-1-methylindazole-3-carboxamide
PubChem CID103123877
Molecular FormulaC14H11ClN4O
Molecular Weight286.72 g/mol
Exact Mass286.06
IUPAC NameN-(4-chloro-2-pyridinyl)-1-methylindazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2cc(Cl)ccn2)c2ccccc21
InChIInChI=1S/C14H11ClN4O/c1-19-11-5-3-2-4-10(11)13(18-19)14(20)17-12-8-9(15)6-7-16-12/h2-8H,1H3,(H,16,17,20)
InChIKeyBXIKWVLJBMLFQV-UHFFFAOYSA-N
XLogP2.87
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyridinyl)-1-methylindazole-3-carboxamide?
The IUPAC name of N-(4-chloro-2-pyridinyl)-1-methylindazole-3-carboxamide (CID 103123877) is N-(4-chloro-2-pyridinyl)-1-methylindazole-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2-pyridinyl)-1-methylindazole-3-carboxamide?
The canonical SMILES for N-(4-chloro-2-pyridinyl)-1-methylindazole-3-carboxamide is Cn1nc(C(=O)Nc2cc(Cl)ccn2)c2ccccc21.
What is the InChIKey of N-(4-chloro-2-pyridinyl)-1-methylindazole-3-carboxamide?
The InChIKey is BXIKWVLJBMLFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O/c1-19-11-5-3-2-4-10(11)13(18-19)14(20)17-12-8-9(15)6-7-16-12/h2-8H,1H3,(H,16,17,20).
What are the key properties of N-(4-chloro-2-pyridinyl)-1-methylindazole-3-carboxamide?
N-(4-chloro-2-pyridinyl)-1-methylindazole-3-carboxamide has a molecular weight of 286.72 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyridinyl)-1-methylindazole-3-carboxamide is sourced from PubChem (CID 103123877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).