N-[5-(2-chloro-5-propan-2-yloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide

C20H19ClN4O2 — CID 70979026

IUPACN-[5-(2-chloro-5-propan-2-yloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide
SMILESCc1ccncc1C(=O)Nc1cnc(-c2cc(OC(C)C)ccc2Cl)cn1
InChIInChI=1S/C20H19ClN4O2/c1-12(2)27-14-4-5-17(21)15(8-14)18-10-24-19(11-23-18)25-20(26)16-9-22-7-6-13(16)3/h4-12H,1-3H3,(H,24,25,26)
InChIKeyRECUGCPDVPFHMP-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.54
Rot. Bonds5

About N-[5-(2-chloro-5-propan-2-yloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide

N-[5-(2-chloro-5-propan-2-yloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide (PubChem CID 70979026) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is N-[5-(2-chloro-5-propan-2-yloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(2-chloro-5-propan-2-yloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide
PubChem CID70979026
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC NameN-[5-(2-chloro-5-propan-2-yloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide
SMILESCc1ccncc1C(=O)Nc1cnc(-c2cc(OC(C)C)ccc2Cl)cn1
InChIInChI=1S/C20H19ClN4O2/c1-12(2)27-14-4-5-17(21)15(8-14)18-10-24-19(11-23-18)25-20(26)16-9-22-7-6-13(16)3/h4-12H,1-3H3,(H,24,25,26)
InChIKeyRECUGCPDVPFHMP-UHFFFAOYSA-N
XLogP4.54
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 54.54
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-propan-2-yloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-(2-chloro-5-propan-2-yloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide (CID 70979026) is N-[5-(2-chloro-5-propan-2-yloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-(2-chloro-5-propan-2-yloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-(2-chloro-5-propan-2-yloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide is Cc1ccncc1C(=O)Nc1cnc(-c2cc(OC(C)C)ccc2Cl)cn1.
What is the InChIKey of N-[5-(2-chloro-5-propan-2-yloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide?
The InChIKey is RECUGCPDVPFHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-12(2)27-14-4-5-17(21)15(8-14)18-10-24-19(11-23-18)25-20(26)16-9-22-7-6-13(16)3/h4-12H,1-3H3,(H,24,25,26).
What are the key properties of N-[5-(2-chloro-5-propan-2-yloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide?
N-[5-(2-chloro-5-propan-2-yloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide has a molecular weight of 382.85 g/mol, XLogP of 4.54, 5 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-propan-2-yloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 70979026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).