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

C21H17ClN6O — CID 70979533

IUPACN-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide
SMILESCc1ccncc1C(=O)Nc1cnc(-c2cc(-c3cnn(C)c3)ccc2Cl)cn1
InChIInChI=1S/C21H17ClN6O/c1-13-5-6-23-9-17(13)21(29)27-20-11-24-19(10-25-20)16-7-14(3-4-18(16)22)15-8-26-28(2)12-15/h3-12H,1-2H3,(H,25,27,29)
InChIKeySRHINFVKXQDHJB-UHFFFAOYSA-N
MW404.86 g/mol
LogP4.15
Rot. Bonds4

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

N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide (PubChem CID 70979533) has the molecular formula C21H17ClN6O and a molecular weight of 404.86 g/mol. Its IUPAC name is N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide
PubChem CID70979533
Molecular FormulaC21H17ClN6O
Molecular Weight404.86 g/mol
Exact Mass404.12
IUPAC NameN-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide
SMILESCc1ccncc1C(=O)Nc1cnc(-c2cc(-c3cnn(C)c3)ccc2Cl)cn1
InChIInChI=1S/C21H17ClN6O/c1-13-5-6-23-9-17(13)21(29)27-20-11-24-19(10-25-20)16-7-14(3-4-18(16)22)15-8-26-28(2)12-15/h3-12H,1-2H3,(H,25,27,29)
InChIKeySRHINFVKXQDHJB-UHFFFAOYSA-N
XLogP4.15
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.86
LogP ≤ 54.15
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-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide (CID 70979533) is N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide is Cc1ccncc1C(=O)Nc1cnc(-c2cc(-c3cnn(C)c3)ccc2Cl)cn1.
What is the InChIKey of N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide?
The InChIKey is SRHINFVKXQDHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN6O/c1-13-5-6-23-9-17(13)21(29)27-20-11-24-19(10-25-20)16-7-14(3-4-18(16)22)15-8-26-28(2)12-15/h3-12H,1-2H3,(H,25,27,29).
What are the key properties of N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide?
N-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide has a molecular weight of 404.86 g/mol, XLogP of 4.15, 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-methylpyridine-3-carboxamide is sourced from PubChem (CID 70979533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).