N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4,5-dimethylpyridine-3-carboxamide

C22H19ClN6O — CID 71010103

IUPACN-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4,5-dimethylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)Nc2cnc(-c3cc(-c4cnn(C)c4)ccc3Cl)cn2)c1C
InChIInChI=1S/C22H19ClN6O/c1-13-7-24-9-18(14(13)2)22(30)28-21-11-25-20(10-26-21)17-6-15(4-5-19(17)23)16-8-27-29(3)12-16/h4-12H,1-3H3,(H,26,28,30)
InChIKeyJYJDATAHYXNZAN-UHFFFAOYSA-N
MW418.89 g/mol
LogP4.46
Rot. Bonds4

About N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4,5-dimethylpyridine-3-carboxamide

N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4,5-dimethylpyridine-3-carboxamide (PubChem CID 71010103) has the molecular formula C22H19ClN6O and a molecular weight of 418.89 g/mol. Its IUPAC name is N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4,5-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4,5-dimethylpyridine-3-carboxamide
PubChem CID71010103
Molecular FormulaC22H19ClN6O
Molecular Weight418.89 g/mol
Exact Mass418.13
IUPAC NameN-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4,5-dimethylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)Nc2cnc(-c3cc(-c4cnn(C)c4)ccc3Cl)cn2)c1C
InChIInChI=1S/C22H19ClN6O/c1-13-7-24-9-18(14(13)2)22(30)28-21-11-25-20(10-26-21)17-6-15(4-5-19(17)23)16-8-27-29(3)12-16/h4-12H,1-3H3,(H,26,28,30)
InChIKeyJYJDATAHYXNZAN-UHFFFAOYSA-N
XLogP4.46
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.89
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4,5-dimethylpyridine-3-carboxamide?
The IUPAC name of N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4,5-dimethylpyridine-3-carboxamide (CID 71010103) is N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4,5-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4,5-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4,5-dimethylpyridine-3-carboxamide is Cc1cncc(C(=O)Nc2cnc(-c3cc(-c4cnn(C)c4)ccc3Cl)cn2)c1C.
What is the InChIKey of N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4,5-dimethylpyridine-3-carboxamide?
The InChIKey is JYJDATAHYXNZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN6O/c1-13-7-24-9-18(14(13)2)22(30)28-21-11-25-20(10-26-21)17-6-15(4-5-19(17)23)16-8-27-29(3)12-16/h4-12H,1-3H3,(H,26,28,30).
What are the key properties of N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4,5-dimethylpyridine-3-carboxamide?
N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4,5-dimethylpyridine-3-carboxamide has a molecular weight of 418.89 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4,5-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 71010103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).