N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-methoxypyridine-3-carboxamide

C18H21N7O2 — CID 122289693

IUPACN-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NCCNc1cc(-n2nc(C)cc2C)ncn1
InChIInChI=1S/C18H21N7O2/c1-12-9-13(2)25(24-12)16-10-15(22-11-23-16)19-7-8-20-17(26)14-5-4-6-21-18(14)27-3/h4-6,9-11H,7-8H2,1-3H3,(H,20,26)(H,19,22,23)
InChIKeyANHGFKOCNMUAMB-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.52
Rot. Bonds7

About N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-methoxypyridine-3-carboxamide

N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-methoxypyridine-3-carboxamide (PubChem CID 122289693) has the molecular formula C18H21N7O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-methoxypyridine-3-carboxamide
PubChem CID122289693
Molecular FormulaC18H21N7O2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC NameN-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NCCNc1cc(-n2nc(C)cc2C)ncn1
InChIInChI=1S/C18H21N7O2/c1-12-9-13(2)25(24-12)16-10-15(22-11-23-16)19-7-8-20-17(26)14-5-4-6-21-18(14)27-3/h4-6,9-11H,7-8H2,1-3H3,(H,20,26)(H,19,22,23)
InChIKeyANHGFKOCNMUAMB-UHFFFAOYSA-N
XLogP1.52
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-methoxypyridine-3-carboxamide (CID 122289693) is N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-methoxypyridine-3-carboxamide is COc1ncccc1C(=O)NCCNc1cc(-n2nc(C)cc2C)ncn1.
What is the InChIKey of N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-methoxypyridine-3-carboxamide?
The InChIKey is ANHGFKOCNMUAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O2/c1-12-9-13(2)25(24-12)16-10-15(22-11-23-16)19-7-8-20-17(26)14-5-4-6-21-18(14)27-3/h4-6,9-11H,7-8H2,1-3H3,(H,20,26)(H,19,22,23).
What are the key properties of N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-methoxypyridine-3-carboxamide?
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-methoxypyridine-3-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 122289693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).