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

C22H19ClN6O — CID 71010057

IUPACN-[5-[2-chloro-5-(1,5-dimethylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide
SMILESCc1ccncc1C(=O)Nc1cnc(-c2cc(-c3cnn(C)c3C)ccc2Cl)cn1
InChIInChI=1S/C22H19ClN6O/c1-13-6-7-24-9-17(13)22(30)28-21-12-25-20(11-26-21)16-8-15(4-5-19(16)23)18-10-27-29(3)14(18)2/h4-12H,1-3H3,(H,26,28,30)
InChIKeyPCXYUPSGVYKBSA-UHFFFAOYSA-N
MW418.89 g/mol
LogP4.46
Rot. Bonds4

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

N-[5-[2-chloro-5-(1,5-dimethylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide (PubChem CID 71010057) has the molecular formula C22H19ClN6O and a molecular weight of 418.89 g/mol. Its IUPAC name is N-[5-[2-chloro-5-(1,5-dimethylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[2-chloro-5-(1,5-dimethylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide
PubChem CID71010057
Molecular FormulaC22H19ClN6O
Molecular Weight418.89 g/mol
Exact Mass418.13
IUPAC NameN-[5-[2-chloro-5-(1,5-dimethylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide
SMILESCc1ccncc1C(=O)Nc1cnc(-c2cc(-c3cnn(C)c3C)ccc2Cl)cn1
InChIInChI=1S/C22H19ClN6O/c1-13-6-7-24-9-17(13)22(30)28-21-12-25-20(11-26-21)16-8-15(4-5-19(16)23)18-10-27-29(3)14(18)2/h4-12H,1-3H3,(H,26,28,30)
InChIKeyPCXYUPSGVYKBSA-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-(1,5-dimethylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-[2-chloro-5-(1,5-dimethylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide (CID 71010057) is N-[5-[2-chloro-5-(1,5-dimethylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-[2-chloro-5-(1,5-dimethylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-[2-chloro-5-(1,5-dimethylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide is Cc1ccncc1C(=O)Nc1cnc(-c2cc(-c3cnn(C)c3C)ccc2Cl)cn1.
What is the InChIKey of N-[5-[2-chloro-5-(1,5-dimethylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide?
The InChIKey is PCXYUPSGVYKBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN6O/c1-13-6-7-24-9-17(13)22(30)28-21-12-25-20(11-26-21)16-8-15(4-5-19(16)23)18-10-27-29(3)14(18)2/h4-12H,1-3H3,(H,26,28,30).
What are the key properties of N-[5-[2-chloro-5-(1,5-dimethylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide?
N-[5-[2-chloro-5-(1,5-dimethylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-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-(1,5-dimethylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 71010057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).