N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-(5-chloroindazol-1-yl)pyridine-4-carboxamide

C21H19ClN6O — CID 126501503

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-(5-chloroindazol-1-yl)pyridine-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1ccnc(-n2ncc3cc(Cl)ccc32)c1
InChIInChI=1S/C21H19ClN6O/c1-12-7-19(23)27-13(2)17(12)11-25-21(29)14-5-6-24-20(9-14)28-18-4-3-16(22)8-15(18)10-26-28/h3-10H,11H2,1-2H3,(H2,23,27)(H,25,29)
InChIKeyGWRZXFOABOEUJB-UHFFFAOYSA-N
MW406.88 g/mol
LogP3.60
Rot. Bonds4

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-(5-chloroindazol-1-yl)pyridine-4-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-(5-chloroindazol-1-yl)pyridine-4-carboxamide (PubChem CID 126501503) has the molecular formula C21H19ClN6O and a molecular weight of 406.88 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-(5-chloroindazol-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-(5-chloroindazol-1-yl)pyridine-4-carboxamide
PubChem CID126501503
Molecular FormulaC21H19ClN6O
Molecular Weight406.88 g/mol
Exact Mass406.13
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-(5-chloroindazol-1-yl)pyridine-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1ccnc(-n2ncc3cc(Cl)ccc32)c1
InChIInChI=1S/C21H19ClN6O/c1-12-7-19(23)27-13(2)17(12)11-25-21(29)14-5-6-24-20(9-14)28-18-4-3-16(22)8-15(18)10-26-28/h3-10H,11H2,1-2H3,(H2,23,27)(H,25,29)
InChIKeyGWRZXFOABOEUJB-UHFFFAOYSA-N
XLogP3.60
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.88
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-(5-chloroindazol-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-(5-chloroindazol-1-yl)pyridine-4-carboxamide (CID 126501503) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-(5-chloroindazol-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-(5-chloroindazol-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-(5-chloroindazol-1-yl)pyridine-4-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(-n2ncc3cc(Cl)ccc32)c1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-(5-chloroindazol-1-yl)pyridine-4-carboxamide?
The InChIKey is GWRZXFOABOEUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN6O/c1-12-7-19(23)27-13(2)17(12)11-25-21(29)14-5-6-24-20(9-14)28-18-4-3-16(22)8-15(18)10-26-28/h3-10H,11H2,1-2H3,(H2,23,27)(H,25,29).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-(5-chloroindazol-1-yl)pyridine-4-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-(5-chloroindazol-1-yl)pyridine-4-carboxamide has a molecular weight of 406.88 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-(5-chloroindazol-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 126501503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).