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

C22H15ClFN5O — CID 71010068

IUPACN-[5-[2-chloro-5-(3-fluoro-4-pyridinyl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide
SMILESCc1ccncc1C(=O)Nc1cnc(-c2cc(-c3ccncc3F)ccc2Cl)cn1
InChIInChI=1S/C22H15ClFN5O/c1-13-4-6-25-9-17(13)22(30)29-21-12-27-20(11-28-21)16-8-14(2-3-18(16)23)15-5-7-26-10-19(15)24/h2-12H,1H3,(H,28,29,30)
InChIKeyHWIFLIDFRFGQAR-UHFFFAOYSA-N
MW419.85 g/mol
LogP4.95
Rot. Bonds4

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

N-[5-[2-chloro-5-(3-fluoro-4-pyridinyl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide (PubChem CID 71010068) has the molecular formula C22H15ClFN5O and a molecular weight of 419.85 g/mol. Its IUPAC name is N-[5-[2-chloro-5-(3-fluoro-4-pyridinyl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[2-chloro-5-(3-fluoro-4-pyridinyl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide
PubChem CID71010068
Molecular FormulaC22H15ClFN5O
Molecular Weight419.85 g/mol
Exact Mass419.09
IUPAC NameN-[5-[2-chloro-5-(3-fluoro-4-pyridinyl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide
SMILESCc1ccncc1C(=O)Nc1cnc(-c2cc(-c3ccncc3F)ccc2Cl)cn1
InChIInChI=1S/C22H15ClFN5O/c1-13-4-6-25-9-17(13)22(30)29-21-12-27-20(11-28-21)16-8-14(2-3-18(16)23)15-5-7-26-10-19(15)24/h2-12H,1H3,(H,28,29,30)
InChIKeyHWIFLIDFRFGQAR-UHFFFAOYSA-N
XLogP4.95
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.85
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-chloro-5-(3-fluoro-4-pyridinyl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-[2-chloro-5-(3-fluoro-4-pyridinyl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide (CID 71010068) is N-[5-[2-chloro-5-(3-fluoro-4-pyridinyl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-[2-chloro-5-(3-fluoro-4-pyridinyl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-[2-chloro-5-(3-fluoro-4-pyridinyl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide is Cc1ccncc1C(=O)Nc1cnc(-c2cc(-c3ccncc3F)ccc2Cl)cn1.
What is the InChIKey of N-[5-[2-chloro-5-(3-fluoro-4-pyridinyl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide?
The InChIKey is HWIFLIDFRFGQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClFN5O/c1-13-4-6-25-9-17(13)22(30)29-21-12-27-20(11-28-21)16-8-14(2-3-18(16)23)15-5-7-26-10-19(15)24/h2-12H,1H3,(H,28,29,30).
What are the key properties of N-[5-[2-chloro-5-(3-fluoro-4-pyridinyl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide?
N-[5-[2-chloro-5-(3-fluoro-4-pyridinyl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide has a molecular weight of 419.85 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-chloro-5-(3-fluoro-4-pyridinyl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 71010068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).