N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-6-ethoxypyridine-3-carboxamide

C17H18N6O2 — CID 122300559

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-6-ethoxypyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)Nc2cnc(-n3nc(C)cc3C)nc2)cn1
InChIInChI=1S/C17H18N6O2/c1-4-25-15-6-5-13(8-18-15)16(24)21-14-9-19-17(20-10-14)23-12(3)7-11(2)22-23/h5-10H,4H2,1-3H3,(H,21,24)
InChIKeyPRNIEMRCARPKKL-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.33
Rot. Bonds5

About N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-6-ethoxypyridine-3-carboxamide

N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-6-ethoxypyridine-3-carboxamide (PubChem CID 122300559) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-6-ethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-6-ethoxypyridine-3-carboxamide
PubChem CID122300559
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-6-ethoxypyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)Nc2cnc(-n3nc(C)cc3C)nc2)cn1
InChIInChI=1S/C17H18N6O2/c1-4-25-15-6-5-13(8-18-15)16(24)21-14-9-19-17(20-10-14)23-12(3)7-11(2)22-23/h5-10H,4H2,1-3H3,(H,21,24)
InChIKeyPRNIEMRCARPKKL-UHFFFAOYSA-N
XLogP2.33
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 122300583
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-methoxypyridine-4-carboxamide
CID 122300568
6-ethoxy-N-(2-methoxypyrimidin-5-yl)pyridine-3-carboxamide
CID 122301635
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]propanamide
CID 121112452
3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 121112477
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-4-thiophen-2-ylbenzamide
CID 122300522
6-(3,5-dimethylpyrazol-1-yl)-N-(6-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 166228864
N-[4-(2-amino-2-oxoethyl)phenyl]-6-ethoxypyridine-3-carboxamide
CID 87002406
5-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-methoxybenzamide
CID 71789814
N-(2-chloro-4-methylphenyl)-6-ethoxypyridine-3-carboxamide
CID 46488346
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-3,3,3-trifluoropropanamide
CID 122300554
2-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide
CID 71789815

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-6-ethoxypyridine-3-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-6-ethoxypyridine-3-carboxamide (CID 122300559) is N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-6-ethoxypyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-6-ethoxypyridine-3-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-6-ethoxypyridine-3-carboxamide is CCOc1ccc(C(=O)Nc2cnc(-n3nc(C)cc3C)nc2)cn1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-6-ethoxypyridine-3-carboxamide?
The InChIKey is PRNIEMRCARPKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-4-25-15-6-5-13(8-18-15)16(24)21-14-9-19-17(20-10-14)23-12(3)7-11(2)22-23/h5-10H,4H2,1-3H3,(H,21,24).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-6-ethoxypyridine-3-carboxamide?
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-6-ethoxypyridine-3-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-6-ethoxypyridine-3-carboxamide is sourced from PubChem (CID 122300559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).